5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride

C10H13ClN2O3S — CID 65367180

IUPAC5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
SMILESCN(CC1CC1)C(=O)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C10H13ClN2O3S/c1-13(6-7-2-3-7)10(14)9-4-8(5-12-9)17(11,15)16/h4-5,7,12H,2-3,6H2,1H3
InChIKeyBIIGRESGGFKLFG-UHFFFAOYSA-N
MW276.75 g/mol
LogP1.42
Rot. Bonds4

About 5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride

5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride (PubChem CID 65367180) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
PubChem CID65367180
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
SMILESCN(CC1CC1)C(=O)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C10H13ClN2O3S/c1-13(6-7-2-3-7)10(14)9-4-8(5-12-9)17(11,15)16/h4-5,7,12H,2-3,6H2,1H3
InChIKeyBIIGRESGGFKLFG-UHFFFAOYSA-N
XLogP1.42
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[cyclopropyl(3-methylbutyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 79005335
4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 79721407
3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 61292517
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1H-pyrrole-3-sulfonyl chloride
CID 115562674
4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 36555948
5-[3-(methoxymethyl)piperidine-1-carbonyl]-1H-pyrrole-3-sulfonyl chloride
CID 106589847
3-chloro-5-[cyclobutylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 107100665
N-methyl-4-nitro-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 79716251
5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 107420999
4-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 63274163
5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65371164
3-[cyclopropylmethyl(methyl)carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65372701

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride?
The IUPAC name of 5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride (CID 65367180) is 5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride is CN(CC1CC1)C(=O)c1cc(S(=O)(=O)Cl)c[nH]1.
What is the InChIKey of 5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride?
The InChIKey is BIIGRESGGFKLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-13(6-7-2-3-7)10(14)9-4-8(5-12-9)17(11,15)16/h4-5,7,12H,2-3,6H2,1H3.
What are the key properties of 5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride?
5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride has a molecular weight of 276.75 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 65367180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).