4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide

C19H23N3O3S — CID 166186122

IUPAC4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C(=O)N2CCCCCC2c2ccncc2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-6-7-18(26(20,24)25)16(13-14)19(23)22-12-4-2-3-5-17(22)15-8-10-21-11-9-15/h6-11,13,17H,2-5,12H2,1H3,(H2,20,24,25)
InChIKeyPAJLNPCPSWOMAU-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.79
Rot. Bonds3

About 4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide

4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide (PubChem CID 166186122) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide
PubChem CID166186122
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C(=O)N2CCCCCC2c2ccncc2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-6-7-18(26(20,24)25)16(13-14)19(23)22-12-4-2-3-5-17(22)15-8-10-21-11-9-15/h6-11,13,17H,2-5,12H2,1H3,(H2,20,24,25)
InChIKeyPAJLNPCPSWOMAU-UHFFFAOYSA-N
XLogP2.79
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764274
(5-methyl-1-benzofuran-2-yl)-[(2R)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94808587
N-(4-methylphenyl)-4-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide
CID 60556415
(4-chloro-3-methylsulfonylphenyl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764698
(2-chloro-4,5-difluorophenyl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764729
(7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94249778
2-(2,5-dimethylphenyl)sulfanyl-1-(2-pyridin-4-ylazepan-1-yl)ethanone
CID 55764276
5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylbenzenesulfonamide
CID 78825743
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 78885056
(3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575481
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide
CID 115561059
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(2-pyridin-4-ylazepan-1-yl)ethanone
CID 55961564

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide (CID 166186122) is 4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCCCCC2c2ccncc2)c1.
What is the InChIKey of 4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide?
The InChIKey is PAJLNPCPSWOMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-6-7-18(26(20,24)25)16(13-14)19(23)22-12-4-2-3-5-17(22)15-8-10-21-11-9-15/h6-11,13,17H,2-5,12H2,1H3,(H2,20,24,25).
What are the key properties of 4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide?
4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 166186122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).