N-[(2-chlorophenyl)methyl]benzenesulfonamide

C13H12ClNO2S — CID 808172

IUPACN-[(2-chlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C13H12ClNO2S/c14-13-9-5-4-6-11(13)10-15-18(16,17)12-7-2-1-3-8-12/h1-9,15H,10H2
InChIKeyONHYRUGJWSOBKE-UHFFFAOYSA-N
MW281.76 g/mol
LogP2.82
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]benzenesulfonamide

N-[(2-chlorophenyl)methyl]benzenesulfonamide (PubChem CID 808172) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]benzenesulfonamide
PubChem CID808172
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-[(2-chlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C13H12ClNO2S/c14-13-9-5-4-6-11(13)10-15-18(16,17)12-7-2-1-3-8-12/h1-9,15H,10H2
InChIKeyONHYRUGJWSOBKE-UHFFFAOYSA-N
XLogP2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

p-Toluenesulfonamide, N-benzyl-
CID 95801
Benzenesulfonamide, N-benzyl-
CID 95236
N-benzyl-1-(2-chlorophenyl)methanesulfonamide
CID 1502244
N-Benzyl-4-chlorobenzenesulfonamide
CID 346194
4-[2-[(4-Chlorophenyl)methylamino]ethyl]benzenesulfonamide
CID 4722330
N-benzothioyl-4-chlorobenzenesulfonamide
CID 2305302
4-chloro-N-[3-({[(4-chlorophenyl)sulfonyl]amino}methyl)benzyl]benzenesulfonamide
CID 1009065
4-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 2165209
4-(2-{[(4-Chlorophenyl)sulfonyl]amino}ethyl)benzenesulfonamide
CID 2904660
N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzenesulfonamide
CID 52149645
N-benzhydryl-4-chlorobenzenesulfonamide
CID 985375
N-benzyl-3-chlorobenzene-1-sulfonamide
CID 2405255

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]benzenesulfonamide (CID 808172) is N-[(2-chlorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The InChIKey is ONHYRUGJWSOBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-13-9-5-4-6-11(13)10-15-18(16,17)12-7-2-1-3-8-12/h1-9,15H,10H2.
What are the key properties of N-[(2-chlorophenyl)methyl]benzenesulfonamide?
N-[(2-chlorophenyl)methyl]benzenesulfonamide has a molecular weight of 281.76 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 808172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).