4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide

C12H18ClNO2S — CID 6467968

IUPAC4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)c(C)cc1Cl
InChIInChI=1S/C12H18ClNO2S/c1-8(2)7-14-17(15,16)12-6-9(3)11(13)5-10(12)4/h5-6,8,14H,7H2,1-4H3
InChIKeyFDPTZDPLPZTGBA-UHFFFAOYSA-N
MW275.80 g/mol
LogP2.89
Rot. Bonds4

About 4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide

4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 6467968) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID6467968
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)c(C)cc1Cl
InChIInChI=1S/C12H18ClNO2S/c1-8(2)7-14-17(15,16)12-6-9(3)11(13)5-10(12)4/h5-6,8,14H,7H2,1-4H3
InChIKeyFDPTZDPLPZTGBA-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide (CID 6467968) is 4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C)C)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is FDPTZDPLPZTGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-8(2)7-14-17(15,16)12-6-9(3)11(13)5-10(12)4/h5-6,8,14H,7H2,1-4H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 275.80 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 6467968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).