4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide

C16H22N4O6S3 — CID 118708307

IUPAC4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H22N4O6S3/c17-27(21,22)15-5-1-13(2-6-15)9-11-19-29(25,26)20-12-10-14-3-7-16(8-4-14)28(18,23)24/h1-8,19-20H,9-12H2,(H2,17,21,22)(H2,18,23,24)
InChIKeyBEQUJZQUHTXZQK-UHFFFAOYSA-N
MW462.58 g/mol
LogP-0.81
Rot. Bonds10

About 4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide

4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide (PubChem CID 118708307) has the molecular formula C16H22N4O6S3 and a molecular weight of 462.58 g/mol. Its IUPAC name is 4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide
PubChem CID118708307
Molecular FormulaC16H22N4O6S3
Molecular Weight462.58 g/mol
Exact Mass462.07
IUPAC Name4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H22N4O6S3/c17-27(21,22)15-5-1-13(2-6-15)9-11-19-29(25,26)20-12-10-14-3-7-16(8-4-14)28(18,23)24/h1-8,19-20H,9-12H2,(H2,17,21,22)(H2,18,23,24)
InChIKeyBEQUJZQUHTXZQK-UHFFFAOYSA-N
XLogP-0.81
TPSA178.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Mafenide
CID 3998
4-(2-Aminoethyl)benzenesulfonamide
CID 169682
N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
N-Butyl-p-toluenesulfonamide
CID 61285
4-(2-Aminoethyl)Benzenesulfonyl Fluoride
CID 1701
p-Toluenesulfonamide, N-benzyl-
CID 95801
Benzenesulfonamide, N-benzyl-
CID 95236
4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 3731938
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
N,N'-1,2-Ethanediylbis(4-methylbenzenesulfonamide)
CID 95237
4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride
CID 186136
4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide
CID 788811

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide (CID 118708307) is 4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide?
The InChIKey is BEQUJZQUHTXZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O6S3/c17-27(21,22)15-5-1-13(2-6-15)9-11-19-29(25,26)20-12-10-14-3-7-16(8-4-14)28(18,23)24/h1-8,19-20H,9-12H2,(H2,17,21,22)(H2,18,23,24).
What are the key properties of 4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide?
4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide has a molecular weight of 462.58 g/mol, XLogP of -0.81, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-sulfamoylphenyl)ethylsulfamoylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 118708307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).