N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide

C19H25N3O2S — CID 113014986

IUPACN-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(NC2CCCCCC2)nc1
InChIInChI=1S/C19H25N3O2S/c1-15-8-6-7-11-18(15)25(23,24)22-17-12-13-19(20-14-17)21-16-9-4-2-3-5-10-16/h6-8,11-14,16,22H,2-5,9-10H2,1H3,(H,20,21)
InChIKeyNKHXMPVAZWHLLC-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.33
Rot. Bonds5

About N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide

N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 113014986) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID113014986
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(NC2CCCCCC2)nc1
InChIInChI=1S/C19H25N3O2S/c1-15-8-6-7-11-18(15)25(23,24)22-17-12-13-19(20-14-17)21-16-9-4-2-3-5-10-16/h6-8,11-14,16,22H,2-5,9-10H2,1H3,(H,20,21)
InChIKeyNKHXMPVAZWHLLC-UHFFFAOYSA-N
XLogP4.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide
CID 113030186
N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113014983
N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010132
N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 66545246
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide
CID 115274852
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113023281
methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate
CID 113020658
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030177
N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009951
1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea
CID 113010098

Frequently Asked Questions

What is the IUPAC name of N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide (CID 113014986) is N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(NC2CCCCCC2)nc1.
What is the InChIKey of N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is NKHXMPVAZWHLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-15-8-6-7-11-18(15)25(23,24)22-17-12-13-19(20-14-17)21-16-9-4-2-3-5-10-16/h6-8,11-14,16,22H,2-5,9-10H2,1H3,(H,20,21).
What are the key properties of N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide?
N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 359.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113014986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).