N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide

C14H15ClN2O2S — CID 75458443

IUPACN-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide
SMILESNc1ccc(CNS(=O)(=O)Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c15-14-8-13(16)7-6-12(14)9-17-20(18,19)10-11-4-2-1-3-5-11/h1-8,17H,9-10,16H2
InChIKeyYJMWKWMGVNYAHH-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.54
Rot. Bonds5

About N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide

N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide (PubChem CID 75458443) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide
PubChem CID75458443
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide
SMILESNc1ccc(CNS(=O)(=O)Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c15-14-8-13(16)7-6-12(14)9-17-20(18,19)10-11-4-2-1-3-5-11/h1-8,17H,9-10,16H2
InChIKeyYJMWKWMGVNYAHH-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-phenylmethanesulfonamide
CID 7034179
N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide
CID 46770850
4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 9150223
N-[(4-amino-2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 75458445
4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28525638
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide
CID 35603755
1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 63796032
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 22207135
N-[(4-amino-2-chlorophenyl)methyl]acetamide
CID 142080080
1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide
CID 3761631
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 31827805
1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide (CID 75458443) is N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide is Nc1ccc(CNS(=O)(=O)Cc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is YJMWKWMGVNYAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-14-8-13(16)7-6-12(14)9-17-20(18,19)10-11-4-2-1-3-5-11/h1-8,17H,9-10,16H2.
What are the key properties of N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide?
N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-chlorophenyl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 75458443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).