N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide

C16H17N3O5S2 — CID 24646340

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1
InChIInChI=1S/C16H17N3O5S2/c17-25(21,22)14-8-4-11(5-9-14)16(20)18-13-2-1-3-15(10-13)26(23,24)19-12-6-7-12/h1-5,8-10,12,19H,6-7H2,(H,18,20)(H2,17,21,22)
InChIKeyLSVQCWMWQDKSMY-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.03
Rot. Bonds6

About N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide

N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide (PubChem CID 24646340) has the molecular formula C16H17N3O5S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
PubChem CID24646340
Molecular FormulaC16H17N3O5S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1
InChIInChI=1S/C16H17N3O5S2/c17-25(21,22)14-8-4-11(5-9-14)16(20)18-13-2-1-3-15(10-13)26(23,24)19-12-6-7-12/h1-5,8-10,12,19H,6-7H2,(H,18,20)(H2,17,21,22)
InChIKeyLSVQCWMWQDKSMY-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24584102
3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 30379406
3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
CID 18284788
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
N-[3-(cyclopropylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 24582373
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide (CID 24646340) is N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide?
The InChIKey is LSVQCWMWQDKSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S2/c17-25(21,22)14-8-4-11(5-9-14)16(20)18-13-2-1-3-15(10-13)26(23,24)19-12-6-7-12/h1-5,8-10,12,19H,6-7H2,(H,18,20)(H2,17,21,22).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide has a molecular weight of 395.46 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 24646340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).