N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide

C80H86Cl5N5O13S3 — CID 159620333

IUPACN-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide
SMILESCOCc1cc(C(=O)N(C)C)ccc1-c1ccc(Cl)cc1.COCc1cc(C(N)=O)ccc1-c1ccc(Cl)cc1.COCc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(Cl)cc1.COCc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(Cl)cc1.COCc1cc(S(N)(=O)=O)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3S.C17H18ClNO2.C16H18ClNO3S.C15H14ClNO2.C14H14ClNO3S/c1-18(2,3)20-24(21,22)16-9-10-17(14(11-16)12-23-4)13-5-7-15(19)8-6-13;1-19(2)17(20)13-6-9-16(14(10-13)11-21-3)12-4-7-15(18)8-5-12;1-18(2)22(19,20)15-8-9-16(13(10-15)11-21-3)12-4-6-14(17)7-5-12;1-19-9-12-8-11(15(17)18)4-7-14(12)10-2-5-13(16)6-3-10;1-19-9-11-8-13(20(16,17)18)6-7-14(11)10-2-4-12(15)5-3-10/h5-11,20H,12H2,1-4H3;4-10H,11H2,1-3H3;4-10H,11H2,1-3H3;2-8H,9H2,1H3,(H2,17,18);2-8H,9H2,1H3,(H2,16,17,18)
InChIKeyMNUWYUUPYZVLAZ-UHFFFAOYSA-N
MW1599.06 g/mol
LogP17.54
Rot. Bonds22

About N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide

N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 159620333) has the molecular formula C80H86Cl5N5O13S3 and a molecular weight of 1599.06 g/mol. Its IUPAC name is N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide
PubChem CID159620333
Molecular FormulaC80H86Cl5N5O13S3
Molecular Weight1599.06 g/mol
Exact Mass1595.38
IUPAC NameN-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide
SMILESCOCc1cc(C(=O)N(C)C)ccc1-c1ccc(Cl)cc1.COCc1cc(C(N)=O)ccc1-c1ccc(Cl)cc1.COCc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(Cl)cc1.COCc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(Cl)cc1.COCc1cc(S(N)(=O)=O)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3S.C17H18ClNO2.C16H18ClNO3S.C15H14ClNO2.C14H14ClNO3S/c1-18(2,3)20-24(21,22)16-9-10-17(14(11-16)12-23-4)13-5-7-15(19)8-6-13;1-19(2)17(20)13-6-9-16(14(10-13)11-21-3)12-4-7-15(18)8-5-12;1-18(2)22(19,20)15-8-9-16(13(10-15)11-21-3)12-4-6-14(17)7-5-12;1-19-9-12-8-11(15(17)18)4-7-14(12)10-2-5-13(16)6-3-10;1-19-9-11-8-13(20(16,17)18)6-7-14(11)10-2-4-12(15)5-3-10/h5-11,20H,12H2,1-4H3;4-10H,11H2,1-3H3;4-10H,11H2,1-3H3;2-8H,9H2,1H3,(H2,17,18);2-8H,9H2,1H3,(H2,16,17,18)
InChIKeyMNUWYUUPYZVLAZ-UHFFFAOYSA-N
XLogP17.54
TPSA253.26 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001599.06
LogP ≤ 517.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide (CID 159620333) is N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide is COCc1cc(C(=O)N(C)C)ccc1-c1ccc(Cl)cc1.COCc1cc(C(N)=O)ccc1-c1ccc(Cl)cc1.COCc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(Cl)cc1.COCc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(Cl)cc1.COCc1cc(S(N)(=O)=O)ccc1-c1ccc(Cl)cc1.
What is the InChIKey of N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is MNUWYUUPYZVLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3S.C17H18ClNO2.C16H18ClNO3S.C15H14ClNO2.C14H14ClNO3S/c1-18(2,3)20-24(21,22)16-9-10-17(14(11-16)12-23-4)13-5-7-15(19)8-6-13;1-19(2)17(20)13-6-9-16(14(10-13)11-21-3)12-4-7-15(18)8-5-12;1-18(2)22(19,20)15-8-9-16(13(10-15)11-21-3)12-4-6-14(17)7-5-12;1-19-9-12-8-11(15(17)18)4-7-14(12)10-2-5-13(16)6-3-10;1-19-9-11-8-13(20(16,17)18)6-7-14(11)10-2-4-12(15)5-3-10/h5-11,20H,12H2,1-4H3;4-10H,11H2,1-3H3;4-10H,11H2,1-3H3;2-8H,9H2,1H3,(H2,17,18);2-8H,9H2,1H3,(H2,16,17,18).
What are the key properties of N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide?
N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 1599.06 g/mol, XLogP of 17.54, 22 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)benzenesulfonamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 159620333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).