5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide

C12H19N3O3S — CID 65389074

IUPAC5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCC1CCCCCN1C(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C12H19N3O3S/c1-9-5-3-2-4-6-15(9)12(16)11-7-10(8-14-11)19(13,17)18/h7-9,14H,2-6H2,1H3,(H2,13,17,18)
InChIKeyCILFETFVOBJIQI-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.07
Rot. Bonds2

About 5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide

5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 65389074) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID65389074
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCC1CCCCCN1C(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C12H19N3O3S/c1-9-5-3-2-4-6-15(9)12(16)11-7-10(8-14-11)19(13,17)18/h7-9,14H,2-6H2,1H3,(H2,13,17,18)
InChIKeyCILFETFVOBJIQI-UHFFFAOYSA-N
XLogP1.07
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonyl chloride
CID 65366989
4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65376127
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 43208784
2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65373226
4-bromo-3-(2-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397267
5-methyl-3-(2-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65373616
[2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride
CID 119469232
(2-methylpyrrolidin-1-yl)-[4-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]methanone
CID 166828874
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388192
5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65386964

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 65389074) is 5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide is CC1CCCCCN1C(=O)c1cc(S(N)(=O)=O)c[nH]1.
What is the InChIKey of 5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is CILFETFVOBJIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9-5-3-2-4-6-15(9)12(16)11-7-10(8-14-11)19(13,17)18/h7-9,14H,2-6H2,1H3,(H2,13,17,18).
What are the key properties of 5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide?
5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 65389074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).