N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C16H17N5O3S — CID 60579174

IUPACN-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)Nc2cccc3[nH]ncc23)c[nH]1)N1CCCC1
InChIInChI=1S/C16H17N5O3S/c22-16(21-6-1-2-7-21)15-8-11(9-17-15)25(23,24)20-14-5-3-4-13-12(14)10-18-19-13/h3-5,8-10,17,20H,1-2,6-7H2,(H,18,19)
InChIKeyQBGIBUYTBXNWLD-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.93
Rot. Bonds4

About N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 60579174) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID60579174
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)Nc2cccc3[nH]ncc23)c[nH]1)N1CCCC1
InChIInChI=1S/C16H17N5O3S/c22-16(21-6-1-2-7-21)15-8-11(9-17-15)25(23,24)20-14-5-3-4-13-12(14)10-18-19-13/h3-5,8-10,17,20H,1-2,6-7H2,(H,18,19)
InChIKeyQBGIBUYTBXNWLD-UHFFFAOYSA-N
XLogP1.93
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36621565
N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36621427
4-(1H-indazol-4-ylsulfamoyl)benzamide
CID 60524919
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006
N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36620781
2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide
CID 60524877
N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 60579360
N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35295357
N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35300489
N-(1H-indazol-4-yl)piperazine-1-sulfonamide
CID 61254561
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
N-[1-(2-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 134018887

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 60579174) is N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is O=C(c1cc(S(=O)(=O)Nc2cccc3[nH]ncc23)c[nH]1)N1CCCC1.
What is the InChIKey of N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is QBGIBUYTBXNWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c22-16(21-6-1-2-7-21)15-8-11(9-17-15)25(23,24)20-14-5-3-4-13-12(14)10-18-19-13/h3-5,8-10,17,20H,1-2,6-7H2,(H,18,19).
What are the key properties of N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 60579174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).