4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide

C10H12ClF3N2O2S — CID 141430871

IUPAC4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cn(C2CC2)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2O2S/c1-6(10(12,13)14)15-19(17,18)9-5-16(4-8(9)11)7-2-3-7/h4-7,15H,2-3H2,1H3/t6-/m1/s1
InChIKeyDEBCGHSQQAWCDB-ZCFIWIBFSA-N
MW316.73 g/mol
LogP2.71
Rot. Bonds4

About 4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide

4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide (PubChem CID 141430871) has the molecular formula C10H12ClF3N2O2S and a molecular weight of 316.73 g/mol. Its IUPAC name is 4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide
PubChem CID141430871
Molecular FormulaC10H12ClF3N2O2S
Molecular Weight316.73 g/mol
Exact Mass316.03
IUPAC Name4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cn(C2CC2)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2O2S/c1-6(10(12,13)14)15-19(17,18)9-5-16(4-8(9)11)7-2-3-7/h4-7,15H,2-3H2,1H3/t6-/m1/s1
InChIKeyDEBCGHSQQAWCDB-ZCFIWIBFSA-N
XLogP2.71
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide with MolForge

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Related Compounds

1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide
CID 174789252
3-chloro-2,4-dimethyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 118188676
methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 118295499
2-chloro-4-methyl-3-(trifluoromethoxy)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 118188481
6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 86668141
methyl 3-bromo-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294844
3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 138659120
2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide
CID 141430869
3-chloro-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123270381
N-(3-chloro-4,5-difluorophenyl)-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294880
3-chloro-N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 118302158
8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide
CID 25047106

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide?
The IUPAC name of 4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide (CID 141430871) is 4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide.
What is the SMILES notation for 4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide?
The canonical SMILES for 4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide is C[C@@H](NS(=O)(=O)c1cn(C2CC2)cc1Cl)C(F)(F)F.
What is the InChIKey of 4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide?
The InChIKey is DEBCGHSQQAWCDB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClF3N2O2S/c1-6(10(12,13)14)15-19(17,18)9-5-16(4-8(9)11)7-2-3-7/h4-7,15H,2-3H2,1H3/t6-/m1/s1.
What are the key properties of 4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide?
4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide has a molecular weight of 316.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide is sourced from PubChem (CID 141430871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).