2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide

C14H21Cl2NO3S — CID 61039183

IUPAC2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N(CCCO)C(C)C)c1Cl
InChIInChI=1S/C14H21Cl2NO3S/c1-9(2)17(6-5-7-18)21(19,20)14-11(4)12(15)8-10(3)13(14)16/h8-9,18H,5-7H2,1-4H3
InChIKeyDGTCRNWVWTYVEO-UHFFFAOYSA-N
MW354.30 g/mol
LogP3.39
Rot. Bonds6

About 2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide

2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 61039183) has the molecular formula C14H21Cl2NO3S and a molecular weight of 354.30 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide
PubChem CID61039183
Molecular FormulaC14H21Cl2NO3S
Molecular Weight354.30 g/mol
Exact Mass353.06
IUPAC Name2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N(CCCO)C(C)C)c1Cl
InChIInChI=1S/C14H21Cl2NO3S/c1-9(2)17(6-5-7-18)21(19,20)14-11(4)12(15)8-10(3)13(14)16/h8-9,18H,5-7H2,1-4H3
InChIKeyDGTCRNWVWTYVEO-UHFFFAOYSA-N
XLogP3.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide (CID 61039183) is 2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)N(CCCO)C(C)C)c1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is DGTCRNWVWTYVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO3S/c1-9(2)17(6-5-7-18)21(19,20)14-11(4)12(15)8-10(3)13(14)16/h8-9,18H,5-7H2,1-4H3.
What are the key properties of 2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide?
2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 354.30 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 61039183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).