N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

C16H17N3O5S2 — CID 30287313

IUPACN-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C16H17N3O5S2/c17-25(21,22)14-2-1-3-15(10-14)26(23,24)19-13-8-6-12(7-9-13)18-16(20)11-4-5-11/h1-3,6-11,19H,4-5H2,(H,18,20)(H2,17,21,22)
InChIKeyWVLOGVZTBKGARD-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.48
Rot. Bonds6

About N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (PubChem CID 30287313) has the molecular formula C16H17N3O5S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
PubChem CID30287313
Molecular FormulaC16H17N3O5S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC NameN-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C16H17N3O5S2/c17-25(21,22)14-2-1-3-15(10-14)26(23,24)19-13-8-6-12(7-9-13)18-16(20)11-4-5-11/h1-3,6-11,19H,4-5H2,(H,18,20)(H2,17,21,22)
InChIKeyWVLOGVZTBKGARD-UHFFFAOYSA-N
XLogP1.48
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541087
N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 17459656
N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540844
3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
CID 18284788
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
N-[3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]cyclopropanecarboxamide
CID 35541261
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 134040472
N-(2-bromo-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43134105
3-N-(4-ethylphenyl)benzene-1,3-disulfonamide
CID 31065784
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (CID 30287313) is N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1.
What is the InChIKey of N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is WVLOGVZTBKGARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S2/c17-25(21,22)14-2-1-3-15(10-14)26(23,24)19-13-8-6-12(7-9-13)18-16(20)11-4-5-11/h1-3,6-11,19H,4-5H2,(H,18,20)(H2,17,21,22).
What are the key properties of N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 30287313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).