5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide

C19H22ClN3O3S2 — CID 25027782

IUPAC5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide
SMILESCCCC(NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1Cc1ccc(OC)cc1
InChIInChI=1S/C19H22ClN3O3S2/c1-3-4-16(22-28(24,25)19-10-9-18(20)27-19)17-11-12-21-23(17)13-14-5-7-15(26-2)8-6-14/h5-12,16,22H,3-4,13H2,1-2H3
InChIKeyJLRSMWRTOWTBIO-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.47
Rot. Bonds9

About 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide

5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide (PubChem CID 25027782) has the molecular formula C19H22ClN3O3S2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide
PubChem CID25027782
Molecular FormulaC19H22ClN3O3S2
Molecular Weight439.99 g/mol
Exact Mass439.08
IUPAC Name5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide
SMILESCCCC(NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1Cc1ccc(OC)cc1
InChIInChI=1S/C19H22ClN3O3S2/c1-3-4-16(22-28(24,25)19-10-9-18(20)27-19)17-11-12-21-23(17)13-14-5-7-15(26-2)8-6-14/h5-12,16,22H,3-4,13H2,1-2H3
InChIKeyJLRSMWRTOWTBIO-UHFFFAOYSA-N
XLogP4.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide (CID 25027782) is 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide is CCCC(NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1Cc1ccc(OC)cc1.
What is the InChIKey of 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide?
The InChIKey is JLRSMWRTOWTBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S2/c1-3-4-16(22-28(24,25)19-10-9-18(20)27-19)17-11-12-21-23(17)13-14-5-7-15(26-2)8-6-14/h5-12,16,22H,3-4,13H2,1-2H3.
What are the key properties of 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide?
5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide has a molecular weight of 439.99 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide is sourced from PubChem (CID 25027782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).