4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide

C11H16ClNO2S — CID 841727

IUPAC4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2S/c1-4-11(2,3)13-16(14,15)10-7-5-9(12)6-8-10/h5-8,13H,4H2,1-3H3
InChIKeyQXGRMPZSNJQFFX-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.81
Rot. Bonds4

About 4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide

4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 841727) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID841727
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2S/c1-4-11(2,3)13-16(14,15)10-7-5-9(12)6-8-10/h5-8,13H,4H2,1-3H3
InChIKeyQXGRMPZSNJQFFX-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide
CID 114298498
4-chloro-N-[3-(chloromethyl)pentan-3-yl]benzenesulfonamide
CID 65032275
N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071
4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
CID 110440463
N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 47425286
2-[(4-chlorophenyl)sulfonylamino]-2-ethylbutanethioamide
CID 61124089
3-chloro-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031458
5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64624600
N-(2-methylbutan-2-yl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106031498
N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 106031454
4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7938230
4-chloro-N-[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]benzenesulfonamide
CID 21178372

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 841727) is 4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is QXGRMPZSNJQFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-4-11(2,3)13-16(14,15)10-7-5-9(12)6-8-10/h5-8,13H,4H2,1-3H3.
What are the key properties of 4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 261.77 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 841727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).