3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide

C13H18ClF2N3O4S — CID 120894173

IUPAC3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C13H18ClF2N3O4S/c1-19(2)12(20)9-4-8(14)5-10(11(9)23-3)24(21,22)18-7-13(15,16)6-17/h4-5,18H,6-7,17H2,1-3H3
InChIKeyLNILOVHEIMKEAX-UHFFFAOYSA-N
MW385.82 g/mol
LogP0.92
Rot. Bonds7

About 3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide

3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide (PubChem CID 120894173) has the molecular formula C13H18ClF2N3O4S and a molecular weight of 385.82 g/mol. Its IUPAC name is 3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide
PubChem CID120894173
Molecular FormulaC13H18ClF2N3O4S
Molecular Weight385.82 g/mol
Exact Mass385.07
IUPAC Name3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C13H18ClF2N3O4S/c1-19(2)12(20)9-4-8(14)5-10(11(9)23-3)24(21,22)18-7-13(15,16)6-17/h4-5,18H,6-7,17H2,1-3H3
InChIKeyLNILOVHEIMKEAX-UHFFFAOYSA-N
XLogP0.92
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120893948
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide
CID 120894029
5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
CID 43510552
3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894158
5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide
CID 120893997
3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894182
3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894025
5-chloro-2-methoxy-3-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43525936
5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43510528
5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid
CID 43510587
5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
CID 120893957
N-(3-amino-2,2-difluoropropyl)-2,4-dimethoxybenzenesulfonamide
CID 114383976

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide (CID 120894173) is 3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide is COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCC(F)(F)CN.
What is the InChIKey of 3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide?
The InChIKey is LNILOVHEIMKEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF2N3O4S/c1-19(2)12(20)9-4-8(14)5-10(11(9)23-3)24(21,22)18-7-13(15,16)6-17/h4-5,18H,6-7,17H2,1-3H3.
What are the key properties of 3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide?
3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide has a molecular weight of 385.82 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 120894173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).