1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide

C14H14F3N3O3S — CID 166370858

IUPAC1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H14F3N3O3S/c1-7(13-10(16)3-8(15)4-11(13)17)19-14(21)12-5-9(6-20(12)2)24(18,22)23/h3-7H,1-2H3,(H,19,21)(H2,18,22,23)/t7-/m0/s1
InChIKeyCDPRJVRIEMMIFN-ZETCQYMHSA-N
MW361.35 g/mol
LogP1.58
Rot. Bonds4

About 1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide

1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide (PubChem CID 166370858) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is 1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide
PubChem CID166370858
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC Name1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H14F3N3O3S/c1-7(13-10(16)3-8(15)4-11(13)17)19-14(21)12-5-9(6-20(12)2)24(18,22)23/h3-7H,1-2H3,(H,19,21)(H2,18,22,23)/t7-/m0/s1
InChIKeyCDPRJVRIEMMIFN-ZETCQYMHSA-N
XLogP1.58
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60718274
N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65381407
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
(2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 63713897
4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 31136747
1-methyl-N-[1-(oxolan-3-yl)ethyl]-4-sulfamoylpyrrole-2-carboxamide
CID 115664874
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311
3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 64670920
N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 126493643
3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 103153124
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate
CID 43035923

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide (CID 166370858) is 1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide is C[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)c1c(F)cc(F)cc1F.
What is the InChIKey of 1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide?
The InChIKey is CDPRJVRIEMMIFN-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-7(13-10(16)3-8(15)4-11(13)17)19-14(21)12-5-9(6-20(12)2)24(18,22)23/h3-7H,1-2H3,(H,19,21)(H2,18,22,23)/t7-/m0/s1.
What are the key properties of 1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide?
1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 166370858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).