N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide

C15H18ClN3O2S — CID 113024346

IUPACN-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C15H18ClN3O2S/c1-3-11(2)18-12-8-9-15(17-10-12)19-22(20,21)14-7-5-4-6-13(14)16/h4-11,18H,3H2,1-2H3,(H,17,19)
InChIKeyIHIJPLLFDRAYDX-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.75
Rot. Bonds6

About N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide

N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide (PubChem CID 113024346) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide
PubChem CID113024346
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC NameN-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C15H18ClN3O2S/c1-3-11(2)18-12-8-9-15(17-10-12)19-22(20,21)14-7-5-4-6-13(14)16/h4-11,18H,3H2,1-2H3,(H,17,19)
InChIKeyIHIJPLLFDRAYDX-UHFFFAOYSA-N
XLogP3.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023545
N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113024340
2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide
CID 113025271
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113034036
2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide
CID 113030186
6-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319210
2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113012187
N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113009809
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113009793
2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124
N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide
CID 113009794

Frequently Asked Questions

What is the IUPAC name of N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide (CID 113024346) is N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide is CCC(C)Nc1ccc(NS(=O)(=O)c2ccccc2Cl)nc1.
What is the InChIKey of N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide?
The InChIKey is IHIJPLLFDRAYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-3-11(2)18-12-8-9-15(17-10-12)19-22(20,21)14-7-5-4-6-13(14)16/h4-11,18H,3H2,1-2H3,(H,17,19).
What are the key properties of N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide?
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide has a molecular weight of 339.85 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 113024346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).