N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide

C19H21ClN2O4S — CID 72662005

IUPACN-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C19H21ClN2O4S/c1-19(2)16(11-4-7-13(8-5-11)27(21,24)25)17(19)18(23)22-14-10-12(20)6-9-15(14)26-3/h4-10,16-17H,1-3H3,(H,22,23)(H2,21,24,25)
InChIKeySYJVUFHTDCQQDY-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.37
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide (PubChem CID 72662005) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
PubChem CID72662005
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C19H21ClN2O4S/c1-19(2)16(11-4-7-13(8-5-11)27(21,24)25)17(19)18(23)22-14-10-12(20)6-9-15(14)26-3/h4-10,16-17H,1-3H3,(H,22,23)(H2,21,24,25)
InChIKeySYJVUFHTDCQQDY-UHFFFAOYSA-N
XLogP3.37
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Bnc375
CID 118160666
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide (CID 72662005) is N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide is COc1ccc(Cl)cc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C1(C)C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The InChIKey is SYJVUFHTDCQQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-19(2)16(11-4-7-13(8-5-11)27(21,24)25)17(19)18(23)22-14-10-12(20)6-9-15(14)26-3/h4-10,16-17H,1-3H3,(H,22,23)(H2,21,24,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide has a molecular weight of 408.91 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 72662005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).