4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide

C15H21ClN2O4S — CID 43070690

IUPAC4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCCC1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CCO1
InChIInChI=1S/C15H21ClN2O4S/c1-4-11-10-18(7-8-22-11)15(19)13-9-12(5-6-14(13)16)23(20,21)17(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeyDLADXRPHKBQLMT-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.84
Rot. Bonds4

About 4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide

4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 43070690) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
PubChem CID43070690
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCCC1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CCO1
InChIInChI=1S/C15H21ClN2O4S/c1-4-11-10-18(7-8-22-11)15(19)13-9-12(5-6-14(13)16)23(20,21)17(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeyDLADXRPHKBQLMT-UHFFFAOYSA-N
XLogP1.84
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide (CID 43070690) is 4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide is CCC1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CCO1.
What is the InChIKey of 4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is DLADXRPHKBQLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-4-11-10-18(7-8-22-11)15(19)13-9-12(5-6-14(13)16)23(20,21)17(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3.
What are the key properties of 4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide?
4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 360.86 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43070690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).