4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide

C10H14ClF3N2O2S — CID 158478306

IUPAC4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide
SMILESCC[C@H](NS(=O)(=O)c1cn(C)c(C)c1Cl)C(F)(F)F
InChIInChI=1S/C10H14ClF3N2O2S/c1-4-8(10(12,13)14)15-19(17,18)7-5-16(3)6(2)9(7)11/h5,8,15H,4H2,1-3H3/t8-/m0/s1
InChIKeyHHFCDSWFBUNSPC-QMMMGPOBSA-N
MW318.75 g/mol
LogP2.61
Rot. Bonds4

About 4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide

4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide (PubChem CID 158478306) has the molecular formula C10H14ClF3N2O2S and a molecular weight of 318.75 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide
PubChem CID158478306
Molecular FormulaC10H14ClF3N2O2S
Molecular Weight318.75 g/mol
Exact Mass318.04
IUPAC Name4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide
SMILESCC[C@H](NS(=O)(=O)c1cn(C)c(C)c1Cl)C(F)(F)F
InChIInChI=1S/C10H14ClF3N2O2S/c1-4-8(10(12,13)14)15-19(17,18)7-5-16(3)6(2)9(7)11/h5,8,15H,4H2,1-3H3/t8-/m0/s1
InChIKeyHHFCDSWFBUNSPC-QMMMGPOBSA-N
XLogP2.61
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 118295499
4-bromo-3-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 121311876
ethyl 3-fluoro-1-methyl-4-[(1,1,1-trifluoro-3-hydroxypropan-2-yl)sulfamoyl]pyrrole-2-carboxylate
CID 175092780
N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide
CID 159847586
methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate
CID 121294803
4-bromo-2-fluoro-N-[(2S)-1,1,1-trifluorobutan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 121302089
4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
CID 166300334
3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 118302142
1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide
CID 174789252
4-bromo-N-[(2S)-1,1,1-trifluorobutan-2-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 121302009
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
1-ethyl-N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrrole-3-sulfonamide
CID 174886382

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide?
The IUPAC name of 4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide (CID 158478306) is 4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide.
What is the SMILES notation for 4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide?
The canonical SMILES for 4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide is CC[C@H](NS(=O)(=O)c1cn(C)c(C)c1Cl)C(F)(F)F.
What is the InChIKey of 4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide?
The InChIKey is HHFCDSWFBUNSPC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClF3N2O2S/c1-4-8(10(12,13)14)15-19(17,18)7-5-16(3)6(2)9(7)11/h5,8,15H,4H2,1-3H3/t8-/m0/s1.
What are the key properties of 4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide?
4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide has a molecular weight of 318.75 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide is sourced from PubChem (CID 158478306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).