3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide

C15H17N3O6S3 — CID 18284788

IUPAC3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C15H17N3O6S3/c16-25(19,20)13-4-2-6-15(10-13)27(23,24)18-12-3-1-5-14(9-12)26(21,22)17-11-7-8-11/h1-6,9-11,17-18H,7-8H2,(H2,16,19,20)
InChIKeyGCOULFNVMNCDMW-UHFFFAOYSA-N
MW431.52 g/mol
LogP0.58
Rot. Bonds7

About 3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide

3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide (PubChem CID 18284788) has the molecular formula C15H17N3O6S3 and a molecular weight of 431.52 g/mol. Its IUPAC name is 3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
PubChem CID18284788
Molecular FormulaC15H17N3O6S3
Molecular Weight431.52 g/mol
Exact Mass431.03
IUPAC Name3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C15H17N3O6S3/c16-25(19,20)13-4-2-6-15(10-13)27(23,24)18-12-3-1-5-14(9-12)26(21,22)17-11-7-8-11/h1-6,9-11,17-18H,7-8H2,(H2,16,19,20)
InChIKeyGCOULFNVMNCDMW-UHFFFAOYSA-N
XLogP0.58
TPSA152.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(oxan-3-yl)benzene-1,3-disulfonamide
CID 63361521
3-N-(oxan-4-yl)benzene-1,3-disulfonamide
CID 43610535
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911
1-N-(3-chloro-4-methylphenyl)-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 33394628
N-[3-(cyclopropylsulfamoyl)phenyl]formamide
CID 64992221
2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
CID 24629235
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide
CID 30286317
3-N-(2-aminocyclohexyl)benzene-1,3-disulfonamide
CID 61037249
3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide
CID 71835094
3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide
CID 62491456

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide?
The IUPAC name of 3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide (CID 18284788) is 3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1.
What is the InChIKey of 3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide?
The InChIKey is GCOULFNVMNCDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S3/c16-25(19,20)13-4-2-6-15(10-13)27(23,24)18-12-3-1-5-14(9-12)26(21,22)17-11-7-8-11/h1-6,9-11,17-18H,7-8H2,(H2,16,19,20).
What are the key properties of 3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide?
3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide has a molecular weight of 431.52 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide is sourced from PubChem (CID 18284788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).