3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide

C10H13Cl2NO2S — CID 70809834

IUPAC3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1c(Cl)ccc(Cl)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C10H13Cl2NO2S/c1-6(2)13-16(14,15)10-7(3)8(11)4-5-9(10)12/h4-6,13H,1-3H3
InChIKeySKMPZRLAIUHILR-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.99
Rot. Bonds3

About 3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide

3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 70809834) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is 3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID70809834
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC Name3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1c(Cl)ccc(Cl)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C10H13Cl2NO2S/c1-6(2)13-16(14,15)10-7(3)8(11)4-5-9(10)12/h4-6,13H,1-3H3
InChIKeySKMPZRLAIUHILR-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide (CID 70809834) is 3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide is Cc1c(Cl)ccc(Cl)c1S(=O)(=O)NC(C)C.
What is the InChIKey of 3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is SKMPZRLAIUHILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c1-6(2)13-16(14,15)10-7(3)8(11)4-5-9(10)12/h4-6,13H,1-3H3.
What are the key properties of 3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide?
3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 282.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 70809834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).