4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide

C15H14ClN5O3S2 — CID 19263270

IUPAC4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1
InChIInChI=1S/C15H14ClN5O3S2/c1-2-21-9-12(16)13(19-21)14(22)18-10-3-5-11(6-4-10)26(23,24)20-15-17-7-8-25-15/h3-9H,2H2,1H3,(H,17,20)(H,18,22)
InChIKeyVPXZLDNPALICKQ-UHFFFAOYSA-N
MW411.90 g/mol
LogP3.07
Rot. Bonds6

About 4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 19263270) has the molecular formula C15H14ClN5O3S2 and a molecular weight of 411.90 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID19263270
Molecular FormulaC15H14ClN5O3S2
Molecular Weight411.90 g/mol
Exact Mass411.02
IUPAC Name4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1
InChIInChI=1S/C15H14ClN5O3S2/c1-2-21-9-12(16)13(19-21)14(22)18-10-3-5-11(6-4-10)26(23,24)20-15-17-7-8-25-15/h3-9H,2H2,1H3,(H,17,20)(H,18,22)
InChIKeyVPXZLDNPALICKQ-UHFFFAOYSA-N
XLogP3.07
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.90
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19475273
2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19507330
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 35522426
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 30391286
1-ethyl-4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide
CID 19476326
3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19570318
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805108
4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 25041464
4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19263479

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide (CID 19263270) is 4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is VPXZLDNPALICKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O3S2/c1-2-21-9-12(16)13(19-21)14(22)18-10-3-5-11(6-4-10)26(23,24)20-15-17-7-8-25-15/h3-9H,2H2,1H3,(H,17,20)(H,18,22).
What are the key properties of 4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 411.90 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19263270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).