4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide

C18H21ClN2O3S — CID 2784019

IUPAC4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c19-16-6-8-17(9-7-16)25(22,23)20-14-18(15-4-2-1-3-5-15)21-10-12-24-13-11-21/h1-9,18,20H,10-14H2
InChIKeySUYNYRMPDZCVQW-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.69
Rot. Bonds6

About 4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide

4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide (PubChem CID 2784019) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
PubChem CID2784019
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c19-16-6-8-17(9-7-16)25(22,23)20-14-18(15-4-2-1-3-5-15)21-10-12-24-13-11-21/h1-9,18,20H,10-14H2
InChIKeySUYNYRMPDZCVQW-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide (CID 2784019) is 4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide is O=S(=O)(NCC(c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
The InChIKey is SUYNYRMPDZCVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c19-16-6-8-17(9-7-16)25(22,23)20-14-18(15-4-2-1-3-5-15)21-10-12-24-13-11-21/h1-9,18,20H,10-14H2.
What are the key properties of 4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 2784019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).