N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C18H20ClNO3S — CID 113091091

IUPACN-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC2(c3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C18H20ClNO3S/c1-12-11-17(13(2)10-16(12)23-3)24(21,22)20-18(8-9-18)14-4-6-15(19)7-5-14/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyAUNFNRPBKBVBRT-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.93
Rot. Bonds5

About N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 113091091) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID113091091
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC NameN-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC2(c3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C18H20ClNO3S/c1-12-11-17(13(2)10-16(12)23-3)24(21,22)20-18(8-9-18)14-4-6-15(19)7-5-14/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyAUNFNRPBKBVBRT-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113091086
N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 119980805
N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 113091232
N-(4-chlorophenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 112997944
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 16676310
5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide
CID 113091457
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
2-(4-chlorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 110327129

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 113091091) is N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NC2(c3ccc(Cl)cc3)CC2)cc1C.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is AUNFNRPBKBVBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-12-11-17(13(2)10-16(12)23-3)24(21,22)20-18(8-9-18)14-4-6-15(19)7-5-14/h4-7,10-11,20H,8-9H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 365.88 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113091091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).