4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C14H21ClN2O3S — CID 1259548

IUPAC4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)cc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-11-10-14(12(2)9-13(11)15)21(18,19)16-3-4-17-5-7-20-8-6-17/h9-10,16H,3-8H2,1-2H3
InChIKeyUXBNIEOIRHTMRT-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.57
Rot. Bonds5

About 4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 1259548) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID1259548
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)cc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-11-10-14(12(2)9-13(11)15)21(18,19)16-3-4-17-5-7-20-8-6-17/h9-10,16H,3-8H2,1-2H3
InChIKeyUXBNIEOIRHTMRT-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 1259548) is 4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is UXBNIEOIRHTMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-11-10-14(12(2)9-13(11)15)21(18,19)16-3-4-17-5-7-20-8-6-17/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1259548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).