3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide

C18H21ClN2O3S — CID 55815977

IUPAC3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c19-17-5-2-6-18(12-17)25(22,23)20-13-15-3-1-4-16(11-15)14-21-7-9-24-10-8-21/h1-6,11-12,20H,7-10,13-14H2
InChIKeyPSDTVAYAUJADBZ-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.65
Rot. Bonds6

About 3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide

3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 55815977) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID55815977
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c19-17-5-2-6-18(12-17)25(22,23)20-13-15-3-1-4-16(11-15)14-21-7-9-24-10-8-21/h1-6,11-12,20H,7-10,13-14H2
InChIKeyPSDTVAYAUJADBZ-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide
CID 55872974
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 94136143
3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 32684364
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55872975
3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110417469
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 91650297
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide
CID 55816008
3-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096859
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide (CID 55815977) is 3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is PSDTVAYAUJADBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c19-17-5-2-6-18(12-17)25(22,23)20-13-15-3-1-4-16(11-15)14-21-7-9-24-10-8-21/h1-6,11-12,20H,7-10,13-14H2.
What are the key properties of 3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55815977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).