1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide

C12H12ClN3O2S — CID 61109056

IUPAC1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C12H12ClN3O2S/c13-12-11(2-1-7-15-12)16-19(17,18)8-9-3-5-10(14)6-4-9/h1-7,16H,8,14H2
InChIKeyMLYMAIQSRAMLLM-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.26
Rot. Bonds4

About 1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide

1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide (PubChem CID 61109056) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide
PubChem CID61109056
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C12H12ClN3O2S/c13-12-11(2-1-7-15-12)16-19(17,18)8-9-3-5-10(14)6-4-9/h1-7,16H,8,14H2
InChIKeyMLYMAIQSRAMLLM-UHFFFAOYSA-N
XLogP2.26
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide
CID 114052143
3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid
CID 43361748
N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103943751
2-(4-aminophenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 54915873
5-amino-N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645770
2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide
CID 79042980
1-phenyl-N-quinolin-5-ylmethanesulfonamide
CID 35282433
5-amino-N-(2-chloro-3-pyridinyl)-1H-indole-3-sulfonamide
CID 64851484
2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 61108863
3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 61108865
1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 30056935
2-[(4-chlorophenyl)methylsulfonylamino]benzamide
CID 2227897

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide (CID 61109056) is 1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide is Nc1ccc(CS(=O)(=O)Nc2cccnc2Cl)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide?
The InChIKey is MLYMAIQSRAMLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-12-11(2-1-7-15-12)16-19(17,18)8-9-3-5-10(14)6-4-9/h1-7,16H,8,14H2.
What are the key properties of 1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide?
1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide has a molecular weight of 297.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 61109056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).