N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide

C17H22N4O4S — CID 97207164

IUPACN-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1)c1cnn(C)c1
InChIInChI=1S/C17H22N4O4S/c1-13(15-11-18-20(2)12-15)19-26(23,24)16-5-3-4-14(10-16)17(22)21-6-8-25-9-7-21/h3-5,10-13,19H,6-9H2,1-2H3/t13-/m0/s1
InChIKeyOUMWDXNDTHLOMF-ZDUSSCGKSA-N
MW378.45 g/mol
LogP0.93
Rot. Bonds5

About N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide

N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 97207164) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID97207164
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1)c1cnn(C)c1
InChIInChI=1S/C17H22N4O4S/c1-13(15-11-18-20(2)12-15)19-26(23,24)16-5-3-4-14(10-16)17(22)21-6-8-25-9-7-21/h3-5,10-13,19H,6-9H2,1-2H3/t13-/m0/s1
InChIKeyOUMWDXNDTHLOMF-ZDUSSCGKSA-N
XLogP0.93
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 72900468
N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide
CID 78902809
3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
CID 78869425
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242
3-methyl-4-[1-(1-methylpyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 146121415
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677176
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 97207164) is N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide is C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1)c1cnn(C)c1.
What is the InChIKey of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is OUMWDXNDTHLOMF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-13(15-11-18-20(2)12-15)19-26(23,24)16-5-3-4-14(10-16)17(22)21-6-8-25-9-7-21/h3-5,10-13,19H,6-9H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 97207164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).