N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide

C16H16ClF2NO3S — CID 22205973

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C)c1
InChIInChI=1S/C16H16ClF2NO3S/c1-9-6-10(2)15(11(3)7-9)24(21,22)20-12-4-5-14(13(17)8-12)23-16(18)19/h4-8,16,20H,1-3H3
InChIKeyOTZNRTPINGIBPO-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.67
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 22205973) has the molecular formula C16H16ClF2NO3S and a molecular weight of 375.82 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID22205973
Molecular FormulaC16H16ClF2NO3S
Molecular Weight375.82 g/mol
Exact Mass375.05
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C)c1
InChIInChI=1S/C16H16ClF2NO3S/c1-9-6-10(2)15(11(3)7-9)24(21,22)20-12-4-5-14(13(17)8-12)23-16(18)19/h4-8,16,20H,1-3H3
InChIKeyOTZNRTPINGIBPO-UHFFFAOYSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfamoyl]benzoate
CID 2445690
3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61063464
3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide
CID 2466269
methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 40727014
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
CID 39824744
N-(3-chloro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 38943082
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 126128473
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)thiourea
CID 17298126
N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 55879659
N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1314189
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide (CID 22205973) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is OTZNRTPINGIBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO3S/c1-9-6-10(2)15(11(3)7-9)24(21,22)20-12-4-5-14(13(17)8-12)23-16(18)19/h4-8,16,20H,1-3H3.
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 375.82 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 22205973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).