5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride

C13H17ClN2O3S — CID 65367293

IUPAC5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)cc1C(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C13H17ClN2O3S/c1-15-8-11(20(14,18)19)6-12(15)13(17)16(10-4-5-10)7-9-2-3-9/h6,8-10H,2-5,7H2,1H3
InChIKeyGCXCSCZRYBNXBL-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.97
Rot. Bonds5

About 5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride

5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride (PubChem CID 65367293) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
PubChem CID65367293
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)cc1C(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C13H17ClN2O3S/c1-15-8-11(20(14,18)19)6-12(15)13(17)16(10-4-5-10)7-9-2-3-9/h6,8-10H,2-5,7H2,1H3
InChIKeyGCXCSCZRYBNXBL-UHFFFAOYSA-N
XLogP1.97
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclopropylmethyl(ethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367480
5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 79005334
N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87028777
5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366824
N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65387791
5-[3-methoxypropyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366837
cyclopentylmethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 66322738
1-methyl-5-(oxan-4-ylmethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65367238
4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 65396129
5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 81074609
cyclohexyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65397331
4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106628800

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride (CID 65367293) is 5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride is Cn1cc(S(=O)(=O)Cl)cc1C(=O)N(CC1CC1)C1CC1.
What is the InChIKey of 5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
The InChIKey is GCXCSCZRYBNXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-15-8-11(20(14,18)19)6-12(15)13(17)16(10-4-5-10)7-9-2-3-9/h6,8-10H,2-5,7H2,1H3.
What are the key properties of 5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride has a molecular weight of 316.81 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 65367293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).