1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide

C14H17N3O3S — CID 61128394

IUPAC1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H17N3O3S/c1-2-8-17-9-4-7-13(17)14(18)16-11-5-3-6-12(10-11)21(15,19)20/h3-7,9-10H,2,8H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyTZZWUXZZCIPKTI-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.80
Rot. Bonds5

About 1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide

1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide (PubChem CID 61128394) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide
PubChem CID61128394
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H17N3O3S/c1-2-8-17-9-4-7-13(17)14(18)16-11-5-3-6-12(10-11)21(15,19)20/h3-7,9-10H,2,8H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyTZZWUXZZCIPKTI-UHFFFAOYSA-N
XLogP1.80
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide
CID 64780134
N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide
CID 43639066
2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 60825640
N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 107592544
N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610220
5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639041
3-ethyl-N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 78969242
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 107565988
2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
CID 103885203
1-propyl-3-(3-sulfamoylphenyl)thiourea
CID 8620369

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide (CID 61128394) is 1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide is CCCn1cccc1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide?
The InChIKey is TZZWUXZZCIPKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-8-17-9-4-7-13(17)14(18)16-11-5-3-6-12(10-11)21(15,19)20/h3-7,9-10H,2,8H2,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of 1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide?
1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61128394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).