N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide

C14H11ClN2O3S — CID 129402246

IUPACN-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H11ClN2O3S/c1-20-13-4-2-3-5-14(13)21(18,19)17-11-7-6-10(9-16)12(15)8-11/h2-8,17H,1H3
InChIKeyUCVGALSSEJFSPG-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.02
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide

N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide (PubChem CID 129402246) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide
PubChem CID129402246
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H11ClN2O3S/c1-20-13-4-2-3-5-14(13)21(18,19)17-11-7-6-10(9-16)12(15)8-11/h2-8,17H,1H3
InChIKeyUCVGALSSEJFSPG-UHFFFAOYSA-N
XLogP3.02
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-phenyl-4-(3-chloro-2-cyanophenoxy)benzene-1-sulfonamide
CID 2804738
N-[4-(cyanomethyl)phenyl]-4-methoxybenzenesulfonamide
CID 882562
N-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 900828
N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 967894
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 974570
5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 2234557
N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 900826
N-(4-chloro-3-(trifluoromethyl)phenyl)-3-methoxybenzenesulfonamide
CID 1308803
N-(4-chloro-3-cyanophenyl)-2-(trifluoromethoxy)benzene-1-sulfonamide
CID 31071578
3-{[(4-Methoxyphenyl)sulfonyl]amino}benzenecarbonitrile
CID 3870404
N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 129402687
N-(3,5-dichloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 172451162

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide (CID 129402246) is N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is UCVGALSSEJFSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c1-20-13-4-2-3-5-14(13)21(18,19)17-11-7-6-10(9-16)12(15)8-11/h2-8,17H,1H3.
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide?
N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 322.77 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 129402246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).