N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide

C18H17ClN4O3S — CID 4781152

IUPACN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1n[nH]c2ccccc12
InChIInChI=1S/C18H17ClN4O3S/c19-14-8-7-12(11-16(14)27(25,26)23-9-3-4-10-23)20-18(24)17-13-5-1-2-6-15(13)21-22-17/h1-2,5-8,11H,3-4,9-10H2,(H,20,24)(H,21,22)
InChIKeyCKJNZXRQEOVMBQ-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.25
Rot. Bonds4

About N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide (PubChem CID 4781152) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide
PubChem CID4781152
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1n[nH]c2ccccc12
InChIInChI=1S/C18H17ClN4O3S/c19-14-8-7-12(11-16(14)27(25,26)23-9-3-4-10-23)20-18(24)17-13-5-1-2-6-15(13)21-22-17/h1-2,5-8,11H,3-4,9-10H2,(H,20,24)(H,21,22)
InChIKeyCKJNZXRQEOVMBQ-UHFFFAOYSA-N
XLogP3.25
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide (CID 4781152) is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1n[nH]c2ccccc12.
What is the InChIKey of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide?
The InChIKey is CKJNZXRQEOVMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c19-14-8-7-12(11-16(14)27(25,26)23-9-3-4-10-23)20-18(24)17-13-5-1-2-6-15(13)21-22-17/h1-2,5-8,11H,3-4,9-10H2,(H,20,24)(H,21,22).
What are the key properties of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide?
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide has a molecular weight of 404.88 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 4781152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).