2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate

C14H23N3O5S2 — CID 21312723

IUPAC2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate
SMILESNc1ccc(S(=O)(=O)NCCOS(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H23N3O5S2/c15-12-6-8-14(9-7-12)23(18,19)16-10-11-22-24(20,21)17-13-4-2-1-3-5-13/h6-9,13,16-17H,1-5,10-11,15H2
InChIKeyBUVLBCYDIVVCLW-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.73
Rot. Bonds8

About 2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate

2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate (PubChem CID 21312723) has the molecular formula C14H23N3O5S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate.

Molecular Properties

Compound Name2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate
PubChem CID21312723
Molecular FormulaC14H23N3O5S2
Molecular Weight377.49 g/mol
Exact Mass377.11
IUPAC Name2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate
SMILESNc1ccc(S(=O)(=O)NCCOS(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H23N3O5S2/c15-12-6-8-14(9-7-12)23(18,19)16-10-11-22-24(20,21)17-13-4-2-1-3-5-13/h6-9,13,16-17H,1-5,10-11,15H2
InChIKeyBUVLBCYDIVVCLW-UHFFFAOYSA-N
XLogP0.73
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61061043
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
CID 141378845
4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
CID 9157994
4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157907

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate?
The IUPAC name of 2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate (CID 21312723) is 2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate.
What is the SMILES notation for 2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate?
The canonical SMILES for 2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate is Nc1ccc(S(=O)(=O)NCCOS(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate?
The InChIKey is BUVLBCYDIVVCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S2/c15-12-6-8-14(9-7-12)23(18,19)16-10-11-22-24(20,21)17-13-4-2-1-3-5-13/h6-9,13,16-17H,1-5,10-11,15H2.
What are the key properties of 2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate?
2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate has a molecular weight of 377.49 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)sulfonylamino]ethyl N-cyclohexylsulfamate is sourced from PubChem (CID 21312723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).