1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide

C13H14N2O4S2 — CID 17247577

IUPAC1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H14N2O4S2/c1-2-9-14-20(16,17)13-8-10-15(11-13)21(18,19)12-6-4-3-5-7-12/h2-8,10-11,14H,1,9H2
InChIKeyKZLGTQAQYKWAGD-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.19
Rot. Bonds6

About 1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide

1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide (PubChem CID 17247577) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide
PubChem CID17247577
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H14N2O4S2/c1-2-9-14-20(16,17)13-8-10-15(11-13)21(18,19)12-6-4-3-5-7-12/h2-8,10-11,14H,1,9H2
InChIKeyKZLGTQAQYKWAGD-UHFFFAOYSA-N
XLogP1.19
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide
CID 17247589
1-(benzenesulfonyl)-3-ethenylpyrrole
CID 10263397
1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide
CID 17247601
1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide
CID 17247609
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 2989337
3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30497083

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide (CID 17247577) is 1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide is C=CCNS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide?
The InChIKey is KZLGTQAQYKWAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-2-9-14-20(16,17)13-8-10-15(11-13)21(18,19)12-6-4-3-5-7-12/h2-8,10-11,14H,1,9H2.
What are the key properties of 1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide?
1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide has a molecular weight of 326.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide is sourced from PubChem (CID 17247577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).