4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide

C16H22N4O6S3 — CID 141378845

IUPAC4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCS(=O)(=O)CCNS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H22N4O6S3/c17-13-1-5-15(6-2-13)28(23,24)19-9-11-27(21,22)12-10-20-29(25,26)16-7-3-14(18)4-8-16/h1-8,19-20H,9-12,17-18H2
InChIKeyDOQXBIWKEMXGEP-UHFFFAOYSA-N
MW462.58 g/mol
LogP-0.48
Rot. Bonds10

About 4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide

4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide (PubChem CID 141378845) has the molecular formula C16H22N4O6S3 and a molecular weight of 462.58 g/mol. Its IUPAC name is 4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
PubChem CID141378845
Molecular FormulaC16H22N4O6S3
Molecular Weight462.58 g/mol
Exact Mass462.07
IUPAC Name4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCS(=O)(=O)CCNS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H22N4O6S3/c17-13-1-5-15(6-2-13)28(23,24)19-9-11-27(21,22)12-10-20-29(25,26)16-7-3-14(18)4-8-16/h1-8,19-20H,9-12,17-18H2
InChIKeyDOQXBIWKEMXGEP-UHFFFAOYSA-N
XLogP-0.48
TPSA178.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136
4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
4-amino-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride
CID 70585913
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
(2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 67154285
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 75406437
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide
CID 9150572
4-amino-N-(3-phenylbutyl)benzenesulfonamide
CID 62986614

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide (CID 141378845) is 4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCS(=O)(=O)CCNS(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide?
The InChIKey is DOQXBIWKEMXGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O6S3/c17-13-1-5-15(6-2-13)28(23,24)19-9-11-27(21,22)12-10-20-29(25,26)16-7-3-14(18)4-8-16/h1-8,19-20H,9-12,17-18H2.
What are the key properties of 4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide?
4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide has a molecular weight of 462.58 g/mol, XLogP of -0.48, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 141378845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).