N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide

C18H22ClN3O4S — CID 25494157

IUPACN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C
InChIInChI=1S/C18H22ClN3O4S/c1-22(2)16(13-6-4-5-7-15(13)19)11-21-18(23)14-10-12(27(20,24)25)8-9-17(14)26-3/h4-10,16H,11H2,1-3H3,(H,21,23)(H2,20,24,25)/t16-/m0/s1
InChIKeyBTRVVHIBTNMHBK-INIZCTEOSA-N
MW411.91 g/mol
LogP2.03
Rot. Bonds7

About N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide

N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide (PubChem CID 25494157) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide
PubChem CID25494157
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C
InChIInChI=1S/C18H22ClN3O4S/c1-22(2)16(13-6-4-5-7-15(13)19)11-21-18(23)14-10-12(27(20,24)25)8-9-17(14)26-3/h4-10,16H,11H2,1-3H3,(H,21,23)(H2,20,24,25)/t16-/m0/s1
InChIKeyBTRVVHIBTNMHBK-INIZCTEOSA-N
XLogP2.03
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-nitrobenzamide
CID 25480247
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 112772394
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 25489476
2,3-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 55350129
2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride
CID 120828882
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methoxy-3-nitrobenzamide
CID 51109535
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide (CID 25494157) is N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is BTRVVHIBTNMHBK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22ClN3O4S/c1-22(2)16(13-6-4-5-7-15(13)19)11-21-18(23)14-10-12(27(20,24)25)8-9-17(14)26-3/h4-10,16H,11H2,1-3H3,(H,21,23)(H2,20,24,25)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide?
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 411.91 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 25494157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).