2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide

C15H22Cl2N2O3S — CID 69367905

IUPAC2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide
SMILESCC1CC(C)N(CC(O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H22Cl2N2O3S/c1-10-5-11(2)19(8-10)9-13(20)7-18-23(21,22)15-6-12(16)3-4-14(15)17/h3-4,6,10-11,13,18,20H,5,7-9H2,1-2H3
InChIKeyIOTPBCZKVPJMNO-UHFFFAOYSA-N
MW381.33 g/mol
LogP2.36
Rot. Bonds6

About 2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide

2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 69367905) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide
PubChem CID69367905
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC Name2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide
SMILESCC1CC(C)N(CC(O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H22Cl2N2O3S/c1-10-5-11(2)19(8-10)9-13(20)7-18-23(21,22)15-6-12(16)3-4-14(15)17/h3-4,6,10-11,13,18,20H,5,7-9H2,1-2H3
InChIKeyIOTPBCZKVPJMNO-UHFFFAOYSA-N
XLogP2.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide (CID 69367905) is 2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide is CC1CC(C)N(CC(O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is IOTPBCZKVPJMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O3S/c1-10-5-11(2)19(8-10)9-13(20)7-18-23(21,22)15-6-12(16)3-4-14(15)17/h3-4,6,10-11,13,18,20H,5,7-9H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide?
2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 381.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 69367905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).