5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride

C12H17ClN2O3S — CID 107420999

IUPAC5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride
SMILESCC1CCCC1CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C12H17ClN2O3S/c1-8-3-2-4-9(8)6-15-12(16)11-5-10(7-14-11)19(13,17)18/h5,7-9,14H,2-4,6H2,1H3,(H,15,16)
InChIKeyDUUAEAXOTOMDSD-UHFFFAOYSA-N
MW304.80 g/mol
LogP2.11
Rot. Bonds4

About 5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride

5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride (PubChem CID 107420999) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride
PubChem CID107420999
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride
SMILESCC1CCCC1CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C12H17ClN2O3S/c1-8-3-2-4-9(8)6-15-12(16)11-5-10(7-14-11)19(13,17)18/h5,7-9,14H,2-4,6H2,1H3,(H,15,16)
InChIKeyDUUAEAXOTOMDSD-UHFFFAOYSA-N
XLogP2.11
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxamide
CID 16110298
(S)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxamide
CID 16110303
1-methyl-4-(piperazine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 9504111
1H-Pyrrole-2-carboxylic acid cyclohexylmethyl-amide
CID 11127444
N-(4-Ethylphenyl)-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 6626029
4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 16018573
N~2~-(2,3-Dimethylphenyl)-4-(piperidinosulfonyl)-1H-pyrrole-2-carboxamide
CID 16018581
N-(3,4-Dimethylphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22551991
N-[4-(Propan-2-YL)phenyl]-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22552041
N-Methyl-N-(4-methylphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22552093
N,N-diethyl-4-(piperidin-1-ylsulfonyl)-1H-pyrrole-2-carboxamide
CID 22552107
N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 24791926

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride?
The IUPAC name of 5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride (CID 107420999) is 5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride is CC1CCCC1CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1.
What is the InChIKey of 5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride?
The InChIKey is DUUAEAXOTOMDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-8-3-2-4-9(8)6-15-12(16)11-5-10(7-14-11)19(13,17)18/h5,7-9,14H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride?
5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride has a molecular weight of 304.80 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 107420999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).