N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine

C12H21N3O2S — CID 84761031

IUPACN'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine
SMILESCCC(C)c1ccccc1NS(=O)(=O)NCCN
InChIInChI=1S/C12H21N3O2S/c1-3-10(2)11-6-4-5-7-12(11)15-18(16,17)14-9-8-13/h4-7,10,14-15H,3,8-9,13H2,1-2H3
InChIKeyFLCYSARTLZZTTL-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.41
Rot. Bonds7

About N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine

N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine (PubChem CID 84761031) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine
PubChem CID84761031
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine
SMILESCCC(C)c1ccccc1NS(=O)(=O)NCCN
InChIInChI=1S/C12H21N3O2S/c1-3-10(2)11-6-4-5-7-12(11)15-18(16,17)14-9-8-13/h4-7,10,14-15H,3,8-9,13H2,1-2H3
InChIKeyFLCYSARTLZZTTL-UHFFFAOYSA-N
XLogP1.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2-ethylphenyl)sulfamoyl]ethane-1,2-diamine
CID 84760891
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
2-(2-aminoethylsulfamoylamino)benzoic acid
CID 84761008
N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 22774422
N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986
N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 25036710
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide
CID 8025055
1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol
CID 114815631
4-bromo-N-(2-butan-2-ylphenyl)-2-ethylbenzenesulfonamide
CID 3822768
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734

Frequently Asked Questions

What is the IUPAC name of N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine (CID 84761031) is N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine is CCC(C)c1ccccc1NS(=O)(=O)NCCN.
What is the InChIKey of N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine?
The InChIKey is FLCYSARTLZZTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-10(2)11-6-4-5-7-12(11)15-18(16,17)14-9-8-13/h4-7,10,14-15H,3,8-9,13H2,1-2H3.
What are the key properties of N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine?
N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine has a molecular weight of 271.39 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine is sourced from PubChem (CID 84761031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).