2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide

C18H21Cl2NO3S — CID 143399663

IUPAC2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(c1ccc(C(C)(C)O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H21Cl2NO3S/c1-12(2)21(15-8-5-13(6-9-15)18(3,4)22)25(23,24)17-11-14(19)7-10-16(17)20/h5-12,22H,1-4H3
InChIKeySNSNSKLFDSREKP-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.82
Rot. Bonds5

About 2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide

2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 143399663) has the molecular formula C18H21Cl2NO3S and a molecular weight of 402.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID143399663
Molecular FormulaC18H21Cl2NO3S
Molecular Weight402.34 g/mol
Exact Mass401.06
IUPAC Name2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(c1ccc(C(C)(C)O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H21Cl2NO3S/c1-12(2)21(15-8-5-13(6-9-15)18(3,4)22)25(23,24)17-11-14(19)7-10-16(17)20/h5-12,22H,1-4H3
InChIKeySNSNSKLFDSREKP-UHFFFAOYSA-N
XLogP4.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide (CID 143399663) is 2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide is CC(C)N(c1ccc(C(C)(C)O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is SNSNSKLFDSREKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO3S/c1-12(2)21(15-8-5-13(6-9-15)18(3,4)22)25(23,24)17-11-14(19)7-10-16(17)20/h5-12,22H,1-4H3.
What are the key properties of 2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide?
2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 402.34 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 143399663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).