4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide

C17H22N2O2S — CID 3771750

IUPAC4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cc(C)cc(C)n2)cc1
InChIInChI=1S/C17H22N2O2S/c1-4-5-6-15-7-9-16(10-8-15)22(20,21)19-17-12-13(2)11-14(3)18-17/h7-12H,4-6H2,1-3H3,(H,18,19)
InChIKeyCXDHKWWOTAXLMA-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.84
Rot. Bonds6

About 4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide

4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide (PubChem CID 3771750) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
PubChem CID3771750
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cc(C)cc(C)n2)cc1
InChIInChI=1S/C17H22N2O2S/c1-4-5-6-15-7-9-16(10-8-15)22(20,21)19-17-12-13(2)11-14(3)18-17/h7-12H,4-6H2,1-3H3,(H,18,19)
InChIKeyCXDHKWWOTAXLMA-UHFFFAOYSA-N
XLogP3.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide
CID 4992211
4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 562945
N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 3376238
4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 71579772
4-butylbenzenesulfonohydrazide
CID 17255521
3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 115749665
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 6413238
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
N-[3,5-bis(trifluoromethyl)phenyl]-4-butylbenzenesulfonamide
CID 22775272
4-butyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771728

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide (CID 3771750) is 4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2cc(C)cc(C)n2)cc1.
What is the InChIKey of 4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is CXDHKWWOTAXLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-4-5-6-15-7-9-16(10-8-15)22(20,21)19-17-12-13(2)11-14(3)18-17/h7-12H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide?
4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 3771750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).