4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide

C17H24ClN3O2S — CID 44822214

IUPAC4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)N(C)Cc2c(Cl)cnn2CC)cc1
InChIInChI=1S/C17H24ClN3O2S/c1-5-13(3)14-7-9-15(10-8-14)24(22,23)20(4)12-17-16(18)11-19-21(17)6-2/h7-11,13H,5-6,12H2,1-4H3
InChIKeySYHCVPDWJCQDMC-UHFFFAOYSA-N
MW369.92 g/mol
LogP3.89
Rot. Bonds7

About 4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide

4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 44822214) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID44822214
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)N(C)Cc2c(Cl)cnn2CC)cc1
InChIInChI=1S/C17H24ClN3O2S/c1-5-13(3)14-7-9-15(10-8-14)24(22,23)20(4)12-17-16(18)11-19-21(17)6-2/h7-11,13H,5-6,12H2,1-4H3
InChIKeySYHCVPDWJCQDMC-UHFFFAOYSA-N
XLogP3.89
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide 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

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(2S)-butan-2-yl]-N-methylbenzenesulfonamide
CID 29092810
4-butan-2-yl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide
CID 44822142
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-butan-2-yl-N-methylbenzenesulfonamide
CID 44822155
4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204133
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide
CID 19582197
4-[(2R)-butan-2-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26011051
4-butan-2-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64519000
4-butan-2-ylbenzenesulfonyl chloride
CID 3776048
4-[(2R)-butan-2-yl]benzenesulfonyl chloride
CID 98062552
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 35520852
4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide
CID 925037
4-[(2R)-butan-2-yl]benzenesulfonate
CID 140600971

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide (CID 44822214) is 4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)N(C)Cc2c(Cl)cnn2CC)cc1.
What is the InChIKey of 4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is SYHCVPDWJCQDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2S/c1-5-13(3)14-7-9-15(10-8-14)24(22,23)20(4)12-17-16(18)11-19-21(17)6-2/h7-11,13H,5-6,12H2,1-4H3.
What are the key properties of 4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide?
4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 369.92 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 44822214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).