N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide

C14H13ClN2O3S — CID 82779073

IUPACN-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)c2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)17-11-5-2-9(3-6-11)14(18)10-4-7-13(16)12(15)8-10/h2-8,17H,16H2,1H3
InChIKeyIYJNRZRDQYDDOK-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.52
Rot. Bonds4

About N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide

N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide (PubChem CID 82779073) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide
PubChem CID82779073
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)c2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)17-11-5-2-9(3-6-11)14(18)10-4-7-13(16)12(15)8-10/h2-8,17H,16H2,1H3
InChIKeyIYJNRZRDQYDDOK-UHFFFAOYSA-N
XLogP2.52
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
CID 43339036
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide
CID 79212173
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
2-amino-5-(methanesulfonamido)benzamide
CID 59583438
N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide
CID 21486683
(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 82787494
4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64642824
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide
CID 110670204
N-[4-[2-(3-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 62505094
(4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone
CID 82786984

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide (CID 82779073) is N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)c2ccc(N)c(Cl)c2)cc1.
What is the InChIKey of N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide?
The InChIKey is IYJNRZRDQYDDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-21(19,20)17-11-5-2-9(3-6-11)14(18)10-4-7-13(16)12(15)8-10/h2-8,17H,16H2,1H3.
What are the key properties of N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide?
N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide has a molecular weight of 324.79 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide is sourced from PubChem (CID 82779073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).