1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride

C10H13ClN2O3S — CID 65367382

IUPAC1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCC1CC1NC(=O)c1cc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C10H13ClN2O3S/c1-6-3-8(6)12-10(14)9-4-7(5-13(9)2)17(11,15)16/h4-6,8H,3H2,1-2H3,(H,12,14)
InChIKeyVCIHFICZRASMNN-UHFFFAOYSA-N
MW276.75 g/mol
LogP1.09
Rot. Bonds3

About 1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride

1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride (PubChem CID 65367382) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
PubChem CID65367382
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCC1CC1NC(=O)c1cc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C10H13ClN2O3S/c1-6-3-8(6)12-10(14)9-4-7(5-13(9)2)17(11,15)16/h4-6,8H,3H2,1-2H3,(H,12,14)
InChIKeyVCIHFICZRASMNN-UHFFFAOYSA-N
XLogP1.09
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611356
1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611360
4-bromo-1-methyl-N-(2-methylcyclopropyl)pyrrole-2-carboxamide
CID 62408030
(3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65373386
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 51548567
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813703
1-methyl-5-(oxan-4-ylmethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65367238
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366972
1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65367473
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 26744296
5-(azepane-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride
CID 65367224
cyclopentylmethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 66322738

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride (CID 65367382) is 1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride is CC1CC1NC(=O)c1cc(S(=O)(=O)Cl)cn1C.
What is the InChIKey of 1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The InChIKey is VCIHFICZRASMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-6-3-8(6)12-10(14)9-4-7(5-13(9)2)17(11,15)16/h4-6,8H,3H2,1-2H3,(H,12,14).
What are the key properties of 1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride has a molecular weight of 276.75 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 65367382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).