N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide

C17H18ClNO3S — CID 113091086

IUPACN-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C17H18ClNO3S/c1-12-11-15(22-2)7-8-16(12)23(20,21)19-17(9-10-17)13-3-5-14(18)6-4-13/h3-8,11,19H,9-10H2,1-2H3
InChIKeyIWTZLSAAAVVADH-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.62
Rot. Bonds5

About N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide

N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 113091086) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID113091086
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C17H18ClNO3S/c1-12-11-15(22-2)7-8-16(12)23(20,21)19-17(9-10-17)13-3-5-14(18)6-4-13/h3-8,11,19H,9-10H2,1-2H3
InChIKeyIWTZLSAAAVVADH-UHFFFAOYSA-N
XLogP3.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113091091
N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 113091232
N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 16676310
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide
CID 113091335
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 120896693
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,4-dimethylbenzenesulfonamide
CID 42269391
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110416813
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113090862
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110781066
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104
N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110732049

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide (CID 113091086) is N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CC2)c(C)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is IWTZLSAAAVVADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-12-11-15(22-2)7-8-16(12)23(20,21)19-17(9-10-17)13-3-5-14(18)6-4-13/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 351.86 g/mol, XLogP of 3.62, 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-methylbenzenesulfonamide is sourced from PubChem (CID 113091086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).