1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide

C12H11ClN2O2S — CID 3944658

IUPAC1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1ccncc1
InChIInChI=1S/C12H11ClN2O2S/c13-12-4-2-1-3-10(12)9-18(16,17)15-11-5-7-14-8-6-11/h1-8H,9H2,(H,14,15)
InChIKeyNKBFZRZTTVWWFL-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.68
Rot. Bonds4

About 1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide

1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide (PubChem CID 3944658) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
PubChem CID3944658
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1ccncc1
InChIInChI=1S/C12H11ClN2O2S/c13-12-4-2-1-3-10(12)9-18(16,17)15-11-5-7-14-8-6-11/h1-8H,9H2,(H,14,15)
InChIKeyNKBFZRZTTVWWFL-UHFFFAOYSA-N
XLogP2.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778591
1-(2-chlorophenyl)-N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 110727363
N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide
CID 3991135
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide
CID 95968877
1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
CID 17257615
1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide
CID 110728613
1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 4654981
1-(2-chlorophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 75538969
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 2988708
N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 17257540
1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide
CID 17257539
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 17257579

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide (CID 3944658) is 1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide is O=S(=O)(Cc1ccccc1Cl)Nc1ccncc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide?
The InChIKey is NKBFZRZTTVWWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-12-4-2-1-3-10(12)9-18(16,17)15-11-5-7-14-8-6-11/h1-8H,9H2,(H,14,15).
What are the key properties of 1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide?
1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide is sourced from PubChem (CID 3944658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).