3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide

C17H18FN3O5S2 — CID 55902715

IUPAC3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H18FN3O5S2/c1-10-15(18)8-11(17(19)22)9-16(10)21-28(25,26)14-6-4-13(5-7-14)27(23,24)20-12-2-3-12/h4-9,12,20-21H,2-3H2,1H3,(H2,19,22)
InChIKeyQVNRHVYBGGFSGA-UHFFFAOYSA-N
MW427.48 g/mol
LogP1.47
Rot. Bonds7

About 3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide

3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide (PubChem CID 55902715) has the molecular formula C17H18FN3O5S2 and a molecular weight of 427.48 g/mol. Its IUPAC name is 3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide
PubChem CID55902715
Molecular FormulaC17H18FN3O5S2
Molecular Weight427.48 g/mol
Exact Mass427.07
IUPAC Name3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H18FN3O5S2/c1-10-15(18)8-11(17(19)22)9-16(10)21-28(25,26)14-6-4-13(5-7-14)27(23,24)20-12-2-3-12/h4-9,12,20-21H,2-3H2,1H3,(H2,19,22)
InChIKeyQVNRHVYBGGFSGA-UHFFFAOYSA-N
XLogP1.47
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
CID 43735724
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide
CID 169371146
3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
CID 43510377
3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115466263
4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide
CID 86792679
3-fluoro-5-formamido-4-methylbenzamide
CID 64992744
1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
CID 35506541
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 123780461
4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride
CID 119970613
4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169371323

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide (CID 55902715) is 3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide?
The InChIKey is QVNRHVYBGGFSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O5S2/c1-10-15(18)8-11(17(19)22)9-16(10)21-28(25,26)14-6-4-13(5-7-14)27(23,24)20-12-2-3-12/h4-9,12,20-21H,2-3H2,1H3,(H2,19,22).
What are the key properties of 3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide?
3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide has a molecular weight of 427.48 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 55902715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).