2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine

C10H16ClN3O2S — CID 114804191

IUPAC2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine
SMILESCC(C)(C)NS(=O)(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C10H16ClN3O2S/c1-10(2,3)14-17(15,16)13-9-6-7(11)4-5-8(9)12/h4-6,13-14H,12H2,1-3H3
InChIKeyLPSITCRXQXKNDY-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.97
Rot. Bonds3

About 2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine

2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine (PubChem CID 114804191) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine
PubChem CID114804191
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine
SMILESCC(C)(C)NS(=O)(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C10H16ClN3O2S/c1-10(2,3)14-17(15,16)13-9-6-7(11)4-5-8(9)12/h4-6,13-14H,12H2,1-3H3
InChIKeyLPSITCRXQXKNDY-UHFFFAOYSA-N
XLogP1.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine
CID 114804931
N-(2-amino-5-chlorophenyl)ethanesulfonamide
CID 16775889
1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene
CID 28787801
3-amino-4-(tert-butylsulfamoylamino)benzoic acid
CID 114804764
3-(tert-butylsulfamoylamino)-4-chlorobenzenecarbothioamide
CID 114808497
N-(2-amino-5-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43344144
3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine
CID 114804269
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline
CID 114804109
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866
N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
CID 43444676
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723

Frequently Asked Questions

What is the IUPAC name of 2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine?
The IUPAC name of 2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine (CID 114804191) is 2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine is CC(C)(C)NS(=O)(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of 2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine?
The InChIKey is LPSITCRXQXKNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-10(2,3)14-17(15,16)13-9-6-7(11)4-5-8(9)12/h4-6,13-14H,12H2,1-3H3.
What are the key properties of 2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine?
2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine has a molecular weight of 277.78 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine is sourced from PubChem (CID 114804191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).