3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide

C19H24ClF3N4O3S — CID 142392406

IUPAC3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2c(Cl)c(NS(=O)(=O)NC(C)(CCF)CCF)cn2C)ccc1F
InChIInChI=1S/C19H24ClF3N4O3S/c1-12-10-13(4-5-14(12)23)24-18(28)17-16(20)15(11-27(17)3)25-31(29,30)26-19(2,6-8-21)7-9-22/h4-5,10-11,25-26H,6-9H2,1-3H3,(H,24,28)
InChIKeyBWHTYXQWZNVBMR-UHFFFAOYSA-N
MW480.94 g/mol
LogP4.10
Rot. Bonds10

About 3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide

3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 142392406) has the molecular formula C19H24ClF3N4O3S and a molecular weight of 480.94 g/mol. Its IUPAC name is 3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID142392406
Molecular FormulaC19H24ClF3N4O3S
Molecular Weight480.94 g/mol
Exact Mass480.12
IUPAC Name3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2c(Cl)c(NS(=O)(=O)NC(C)(CCF)CCF)cn2C)ccc1F
InChIInChI=1S/C19H24ClF3N4O3S/c1-12-10-13(4-5-14(12)23)24-18(28)17-16(20)15(11-27(17)3)25-31(29,30)26-19(2,6-8-21)7-9-22/h4-5,10-11,25-26H,6-9H2,1-3H3,(H,24,28)
InChIKeyBWHTYXQWZNVBMR-UHFFFAOYSA-N
XLogP4.10
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.94
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-chloro-4,5-difluorophenyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoylamino)pyrrole-2-carboxamide
CID 142392507
3-chloro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoylamino]-N-(3,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 162608482
N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 146384186
3-chloro-N-(3,4-difluorophenyl)-1-methyl-4-[(1,1,1-trifluoropropan-2-ylamino)sulfamoyl]pyrrole-2-carboxamide
CID 162609065
3-chloro-N-(3-chloro-2,4-difluorophenyl)-4-(2,2-dimethylpropylsulfonyl)-1-methylpyrrole-2-carboxamide
CID 158870079
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
4-[(tert-butylamino)sulfanylamino]-3-chloro-1-methyl-N-(3,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 142392399
1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
(3R,4R)-3-[[4-fluoro-5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrrol-3-yl]sulfonylamino]-4-(sulfanylmethyl)pyrrolidine-1-carboxylic acid
CID 155315594
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
3-fluoro-N-(4-fluoro-3-methylphenyl)-1-methyl-4-[2-[(3-methyloxetan-3-yl)amino]ethyl]pyrrole-2-carboxamide
CID 146384223
2-(ethylamino)-N-(4-fluoro-3-methylphenyl)-5-methylbenzamide
CID 62813653

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide (CID 142392406) is 3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide is Cc1cc(NC(=O)c2c(Cl)c(NS(=O)(=O)NC(C)(CCF)CCF)cn2C)ccc1F.
What is the InChIKey of 3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is BWHTYXQWZNVBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClF3N4O3S/c1-12-10-13(4-5-14(12)23)24-18(28)17-16(20)15(11-27(17)3)25-31(29,30)26-19(2,6-8-21)7-9-22/h4-5,10-11,25-26H,6-9H2,1-3H3,(H,24,28).
What are the key properties of 3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide?
3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 480.94 g/mol, XLogP of 4.10, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 142392406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).