N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide

C14H13ClN2O3S2 — CID 22131294

IUPACN-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide
SMILESCS(=O)(=O)NSc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3S2/c1-22(19,20)17-21-13-5-3-2-4-12(13)14(18)16-11-8-6-10(15)7-9-11/h2-9,17H,1H3,(H,16,18)
InChIKeyHRQUUJPWOKGMIH-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.15
Rot. Bonds5

About N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide

N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide (PubChem CID 22131294) has the molecular formula C14H13ClN2O3S2 and a molecular weight of 356.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide
PubChem CID22131294
Molecular FormulaC14H13ClN2O3S2
Molecular Weight356.86 g/mol
Exact Mass356.01
IUPAC NameN-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide
SMILESCS(=O)(=O)NSc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3S2/c1-22(19,20)17-21-13-5-3-2-4-12(13)14(18)16-11-8-6-10(15)7-9-11/h2-9,17H,1H3,(H,16,18)
InChIKeyHRQUUJPWOKGMIH-UHFFFAOYSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide 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-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224527
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide
CID 175815954
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 9173217
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 100753352
4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
CID 55466634
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
CID 11164561

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide (CID 22131294) is N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide is CS(=O)(=O)NSc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide?
The InChIKey is HRQUUJPWOKGMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S2/c1-22(19,20)17-21-13-5-3-2-4-12(13)14(18)16-11-8-6-10(15)7-9-11/h2-9,17H,1H3,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide?
N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide has a molecular weight of 356.86 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide is sourced from PubChem (CID 22131294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).