3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide

C19H25N3O3S — CID 112981487

IUPAC3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NCCN3CCOCC3)cc2)c1
InChIInChI=1S/C19H25N3O3S/c1-16-3-2-4-19(15-16)26(23,24)21-18-7-5-17(6-8-18)20-9-10-22-11-13-25-14-12-22/h2-8,15,20-21H,9-14H2,1H3
InChIKeyKABAJBOWVYOLQU-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.54
Rot. Bonds7

About 3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide

3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide (PubChem CID 112981487) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
PubChem CID112981487
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NCCN3CCOCC3)cc2)c1
InChIInChI=1S/C19H25N3O3S/c1-16-3-2-4-19(15-16)26(23,24)21-18-7-5-17(6-8-18)20-9-10-22-11-13-25-14-12-22/h2-8,15,20-21H,9-14H2,1H3
InChIKeyKABAJBOWVYOLQU-UHFFFAOYSA-N
XLogP2.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 91650297
4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
CID 112981476
3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 112502665
N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3-methylbenzenesulfonamide
CID 112980883
3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]benzenesulfonamide
CID 113025678
N,N-dimethyl-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
CID 43453904
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-methylbenzenesulfonamide
CID 112984261
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729389

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide (CID 112981487) is 3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(NCCN3CCOCC3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide?
The InChIKey is KABAJBOWVYOLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-16-3-2-4-19(15-16)26(23,24)21-18-7-5-17(6-8-18)20-9-10-22-11-13-25-14-12-22/h2-8,15,20-21H,9-14H2,1H3.
What are the key properties of 3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide?
3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112981487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).