2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

C17H22N2O5S2 — CID 8801941

IUPAC2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H22N2O5S2/c1-12-5-10-16(24-4)17(11-12)26(22,23)19(3)13(2)14-6-8-15(9-7-14)25(18,20)21/h5-11,13H,1-4H3,(H2,18,20,21)/t13-/m1/s1
InChIKeyNZNIKLODCCOZRB-CYBMUJFWSA-N
MW398.51 g/mol
LogP2.03
Rot. Bonds6

About 2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (PubChem CID 8801941) has the molecular formula C17H22N2O5S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
PubChem CID8801941
Molecular FormulaC17H22N2O5S2
Molecular Weight398.51 g/mol
Exact Mass398.10
IUPAC Name2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H22N2O5S2/c1-12-5-10-16(24-4)17(11-12)26(22,23)19(3)13(2)14-6-8-15(9-7-14)25(18,20)21/h5-11,13H,1-4H3,(H2,18,20,21)/t13-/m1/s1
InChIKeyNZNIKLODCCOZRB-CYBMUJFWSA-N
XLogP2.03
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 55639511
N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 51278432
4-[1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615125
N,2,3-trimethyl-5-nitro-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 46633654
2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166187507
2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 8777833
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide
CID 51278422
4-N,4-N-diethyl-1-N-methyl-1-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzene-1,4-disulfonamide
CID 30963940
3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51292168
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8805833
2,5-dichloro-N,3,6-trimethyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 30964005

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (CID 8801941) is 2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The InChIKey is NZNIKLODCCOZRB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O5S2/c1-12-5-10-16(24-4)17(11-12)26(22,23)19(3)13(2)14-6-8-15(9-7-14)25(18,20)21/h5-11,13H,1-4H3,(H2,18,20,21)/t13-/m1/s1.
What are the key properties of 2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide has a molecular weight of 398.51 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 8801941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).