4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide

C16H20ClN3O2S — CID 113030332

IUPAC4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
SMILESCC(C)CCNc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H20ClN3O2S/c1-12(2)9-10-18-14-5-8-16(19-11-14)20-23(21,22)15-6-3-13(17)4-7-15/h3-8,11-12,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyDQYBMJAZUNSEII-UHFFFAOYSA-N
MW353.88 g/mol
LogP3.99
Rot. Bonds7

About 4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide

4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113030332) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113030332
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
SMILESCC(C)CCNc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H20ClN3O2S/c1-12(2)9-10-18-14-5-8-16(19-11-14)20-23(21,22)15-6-3-13(17)4-7-15/h3-8,11-12,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyDQYBMJAZUNSEII-UHFFFAOYSA-N
XLogP3.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030370
4-chloro-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985139
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458
N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113030339
4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113027143
N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015172
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030356
4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide
CID 113024995
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023499

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide (CID 113030332) is 4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide is CC(C)CCNc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)nc1.
What is the InChIKey of 4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is DQYBMJAZUNSEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-12(2)9-10-18-14-5-8-16(19-11-14)20-23(21,22)15-6-3-13(17)4-7-15/h3-8,11-12,18H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide?
4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 353.88 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113030332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).