N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide

C14H18ClN3O2S — CID 17376266

IUPACN-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(Cn2cc(Cl)cn2)c1
InChIInChI=1S/C14H18ClN3O2S/c1-2-3-7-21(19,20)17-14-6-4-5-12(8-14)10-18-11-13(15)9-16-18/h4-6,8-9,11,17H,2-3,7,10H2,1H3
InChIKeyIAIRUPLGOYUOPK-UHFFFAOYSA-N
MW327.84 g/mol
LogP3.13
Rot. Bonds7

About N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide

N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide (PubChem CID 17376266) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide
PubChem CID17376266
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(Cn2cc(Cl)cn2)c1
InChIInChI=1S/C14H18ClN3O2S/c1-2-3-7-21(19,20)17-14-6-4-5-12(8-14)10-18-11-13(15)9-16-18/h4-6,8-9,11,17H,2-3,7,10H2,1H3
InChIKeyIAIRUPLGOYUOPK-UHFFFAOYSA-N
XLogP3.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide 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-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
CID 22205844
N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
4-[3-[(4-chloropyrazol-1-yl)methyl]anilino]-4-oxobutanoic acid
CID 51699136
4-chloro-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1-ethylpyrazole-3-carboxamide
CID 19263371
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
CID 22201754
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide
CID 22206733
N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
CID 112986998
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]butane-1-sulfonamide
CID 22772004
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474875
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19472126
N-(3-methylsulfonylphenyl)butane-1-sulfonamide
CID 110779460

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide?
The IUPAC name of N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide (CID 17376266) is N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cccc(Cn2cc(Cl)cn2)c1.
What is the InChIKey of N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide?
The InChIKey is IAIRUPLGOYUOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-2-3-7-21(19,20)17-14-6-4-5-12(8-14)10-18-11-13(15)9-16-18/h4-6,8-9,11,17H,2-3,7,10H2,1H3.
What are the key properties of N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide?
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide has a molecular weight of 327.84 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide is sourced from PubChem (CID 17376266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).