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

C10H16ClN3O2S — CID 114804931

IUPAC4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine
SMILESCC(C)(C)NS(=O)(=O)Nc1ccc(N)c(Cl)c1
InChIInChI=1S/C10H16ClN3O2S/c1-10(2,3)14-17(15,16)13-7-4-5-9(12)8(11)6-7/h4-6,13-14H,12H2,1-3H3
InChIKeyLEIMSQNGWZUXJJ-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.97
Rot. Bonds3

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

4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine (PubChem CID 114804931) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine
PubChem CID114804931
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine
SMILESCC(C)(C)NS(=O)(=O)Nc1ccc(N)c(Cl)c1
InChIInChI=1S/C10H16ClN3O2S/c1-10(2,3)14-17(15,16)13-7-4-5-9(12)8(11)6-7/h4-6,13-14H,12H2,1-3H3
InChIKeyLEIMSQNGWZUXJJ-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

2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine
CID 114804191
N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43604420
N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417
3-bromo-N-(tert-butylsulfamoyl)aniline
CID 104516899
2-chloro-4-N-ethylbenzene-1,4-diamine
CID 68788899
3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine
CID 114804269
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329
2-chloro-4-N-propylbenzene-1,4-diamine
CID 144516176
1-[3-(tert-butylsulfamoylamino)phenyl]ethanone
CID 113421750
3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
CID 43604435
3-(tert-butylsulfamoylamino)-4-chlorobenzenecarbothioamide
CID 114808497
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192

Frequently Asked Questions

What is the IUPAC name of 4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine?
The IUPAC name of 4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine (CID 114804931) is 4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine.
What is the SMILES notation for 4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine?
The canonical SMILES for 4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine is CC(C)(C)NS(=O)(=O)Nc1ccc(N)c(Cl)c1.
What is the InChIKey of 4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine?
The InChIKey is LEIMSQNGWZUXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-10(2,3)14-17(15,16)13-7-4-5-9(12)8(11)6-7/h4-6,13-14H,12H2,1-3H3.
What are the key properties of 4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine?
4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-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 4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine is sourced from PubChem (CID 114804931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).