N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide

C16H19ClN2O4S2 — CID 55879000

IUPACN-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C16H19ClN2O4S2/c1-10-9-11(2)16(12(3)15(10)19-24(4,20)21)25(22,23)18-14-7-5-13(17)6-8-14/h5-9,18-19H,1-4H3
InChIKeyVHHBQPIGJXBACK-UHFFFAOYSA-N
MW402.93 g/mol
LogP3.44
Rot. Bonds5

About N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide

N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 55879000) has the molecular formula C16H19ClN2O4S2 and a molecular weight of 402.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
PubChem CID55879000
Molecular FormulaC16H19ClN2O4S2
Molecular Weight402.93 g/mol
Exact Mass402.05
IUPAC NameN-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C16H19ClN2O4S2/c1-10-9-11(2)16(12(3)15(10)19-24(4,20)21)25(22,23)18-14-7-5-13(17)6-8-14/h5-9,18-19H,1-4H3
InChIKeyVHHBQPIGJXBACK-UHFFFAOYSA-N
XLogP3.44
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(6-chloro-3-pyridinyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 56532181
N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 55879659
N-[4-(cyanomethyl)phenyl]-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 55895192
3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 60532632
3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 55896668
N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4644491
3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 60532916
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
CID 47062824
N-(4-chlorophenyl)-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 3780548
2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103170975
N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 17283107

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide (CID 55879000) is N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)c1NS(C)(=O)=O.
What is the InChIKey of N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is VHHBQPIGJXBACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S2/c1-10-9-11(2)16(12(3)15(10)19-24(4,20)21)25(22,23)18-14-7-5-13(17)6-8-14/h5-9,18-19H,1-4H3.
What are the key properties of N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide?
N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 402.93 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 55879000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).