N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide

C19H21ClFNO4S — CID 35315095

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1OC
InChIInChI=1S/C19H21ClFNO4S/c1-12-9-17(25-2)18(26-3)10-19(12)27(23,24)22(13-7-8-13)11-14-15(20)5-4-6-16(14)21/h4-6,9-10,13H,7-8,11H2,1-3H3
InChIKeyCNZDDYSNXLOCJA-UHFFFAOYSA-N
MW413.90 g/mol
LogP4.16
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide (PubChem CID 35315095) has the molecular formula C19H21ClFNO4S and a molecular weight of 413.90 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide
PubChem CID35315095
Molecular FormulaC19H21ClFNO4S
Molecular Weight413.90 g/mol
Exact Mass413.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1OC
InChIInChI=1S/C19H21ClFNO4S/c1-12-9-17(25-2)18(26-3)10-19(12)27(23,24)22(13-7-8-13)11-14-15(20)5-4-6-16(14)21/h4-6,9-10,13H,7-8,11H2,1-3H3
InChIKeyCNZDDYSNXLOCJA-UHFFFAOYSA-N
XLogP4.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,6-difluorobenzenesulfonamide
CID 38254380
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-ethylsulfonylbenzenesulfonamide
CID 55872067
5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide
CID 55766385
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 46633664
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide
CID 56514574
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46533760
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 55445713
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33078304
2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide
CID 8778154
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 47304826
4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one
CID 79119937

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide (CID 35315095) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1OC.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide?
The InChIKey is CNZDDYSNXLOCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO4S/c1-12-9-17(25-2)18(26-3)10-19(12)27(23,24)22(13-7-8-13)11-14-15(20)5-4-6-16(14)21/h4-6,9-10,13H,7-8,11H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide has a molecular weight of 413.90 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 35315095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).