4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

C9H14F2N4O3S — CID 114383910

IUPAC4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCC(F)(F)CN)cc1C(N)=O
InChIInChI=1S/C9H14F2N4O3S/c1-15-3-6(2-7(15)8(13)16)19(17,18)14-5-9(10,11)4-12/h2-3,14H,4-5,12H2,1H3,(H2,13,16)
InChIKeyMYPSSKGNCPMSHC-UHFFFAOYSA-N
MW296.30 g/mol
LogP-1.00
Rot. Bonds6

About 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 114383910) has the molecular formula C9H14F2N4O3S and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID114383910
Molecular FormulaC9H14F2N4O3S
Molecular Weight296.30 g/mol
Exact Mass296.08
IUPAC Name4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCC(F)(F)CN)cc1C(N)=O
InChIInChI=1S/C9H14F2N4O3S/c1-15-3-6(2-7(15)8(13)16)19(17,18)14-5-9(10,11)4-12/h2-3,14H,4-5,12H2,1H3,(H2,13,16)
InChIKeyMYPSSKGNCPMSHC-UHFFFAOYSA-N
XLogP-1.00
TPSA120.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182
4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119981288
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475
1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445410
1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 35507297
N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide
CID 114384146
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103834466
4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115301253
4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 51128729

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 114383910) is 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)NCC(F)(F)CN)cc1C(N)=O.
What is the InChIKey of 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MYPSSKGNCPMSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O3S/c1-15-3-6(2-7(15)8(13)16)19(17,18)14-5-9(10,11)4-12/h2-3,14H,4-5,12H2,1H3,(H2,13,16).
What are the key properties of 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 296.30 g/mol, XLogP of -1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 114383910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).