3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide

C10H15ClN2O4S2 — CID 63687162

IUPAC3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C10H15ClN2O4S2/c1-10(2,3)19(16,17)13-9-6-7(18(12,14)15)4-5-8(9)11/h4-6,13H,1-3H3,(H2,12,14,15)
InChIKeyZBYYEDQZMGRIKL-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.53
Rot. Bonds3

About 3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide

3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide (PubChem CID 63687162) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide
PubChem CID63687162
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC Name3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C10H15ClN2O4S2/c1-10(2,3)19(16,17)13-9-6-7(18(12,14)15)4-5-8(9)11/h4-6,13H,1-3H3,(H2,12,14,15)
InChIKeyZBYYEDQZMGRIKL-UHFFFAOYSA-N
XLogP1.53
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365
4-chloro-3-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666623
N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide
CID 61132456
4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 43745778
N-(2-chloro-5-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61132271
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide
CID 103022178
2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide
CID 60867729
4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide
CID 43791004
3-bromo-4-(tert-butylsulfonylamino)benzenesulfonyl chloride
CID 63689163
2-(2-chloro-5-sulfamoylanilino)propanoic acid
CID 66174535
4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide
CID 43745796

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide?
The IUPAC name of 3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide (CID 63687162) is 3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide?
The canonical SMILES for 3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide is CC(C)(C)S(=O)(=O)Nc1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of 3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide?
The InChIKey is ZBYYEDQZMGRIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S2/c1-10(2,3)19(16,17)13-9-6-7(18(12,14)15)4-5-8(9)11/h4-6,13H,1-3H3,(H2,12,14,15).
What are the key properties of 3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide?
3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide has a molecular weight of 326.83 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 63687162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).