2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide

C14H21Cl2NO2S — CID 2169157

IUPAC2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide
SMILESCC(C)CCC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO2S/c1-10(2)5-4-6-11(3)17-20(18,19)14-9-12(15)7-8-13(14)16/h7-11,17H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyCVYICWMTJASGBS-NSHDSACASA-N
MW338.30 g/mol
LogP4.49
Rot. Bonds7

About 2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide

2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide (PubChem CID 2169157) has the molecular formula C14H21Cl2NO2S and a molecular weight of 338.30 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide
PubChem CID2169157
Molecular FormulaC14H21Cl2NO2S
Molecular Weight338.30 g/mol
Exact Mass337.07
IUPAC Name2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide
SMILESCC(C)CCC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO2S/c1-10(2)5-4-6-11(3)17-20(18,19)14-9-12(15)7-8-13(14)16/h7-11,17H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyCVYICWMTJASGBS-NSHDSACASA-N
XLogP4.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide (CID 2169157) is 2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide is CC(C)CCC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide?
The InChIKey is CVYICWMTJASGBS-NSHDSACASA-N. The full InChI is InChI=1S/C14H21Cl2NO2S/c1-10(2)5-4-6-11(3)17-20(18,19)14-9-12(15)7-8-13(14)16/h7-11,17H,4-6H2,1-3H3/t11-/m0/s1.
What are the key properties of 2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide?
2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide has a molecular weight of 338.30 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide is sourced from PubChem (CID 2169157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).