N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide

C16H10Cl2F7NO2S — CID 169370068

IUPACN-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C16H10Cl2F7NO2S/c1-8-2-4-10(5-3-8)29(27,28)26-13-11(17)6-9(7-12(13)18)14(19,15(20,21)22)16(23,24)25/h2-7,26H,1H3
InChIKeyGTNMXXBZECOYOT-UHFFFAOYSA-N
MW484.22 g/mol
LogP6.39
Rot. Bonds4

About N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide

N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169370068) has the molecular formula C16H10Cl2F7NO2S and a molecular weight of 484.22 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169370068
Molecular FormulaC16H10Cl2F7NO2S
Molecular Weight484.22 g/mol
Exact Mass482.97
IUPAC NameN-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C16H10Cl2F7NO2S/c1-8-2-4-10(5-3-8)29(27,28)26-13-11(17)6-9(7-12(13)18)14(19,15(20,21)22)16(23,24)25/h2-7,26H,1H3
InChIKeyGTNMXXBZECOYOT-UHFFFAOYSA-N
XLogP6.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.22
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide
CID 169369916
N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828237
N-(2,4-dibromo-6-chloro-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 169371289
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169369956
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide
CID 169369950
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
4-methyl-N-[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[(4-methylphenyl)sulfonylamino]-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]benzenesulfonamide
CID 53230666
N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
CID 169370854
N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169370736

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide (CID 169370068) is N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is GTNMXXBZECOYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F7NO2S/c1-8-2-4-10(5-3-8)29(27,28)26-13-11(17)6-9(7-12(13)18)14(19,15(20,21)22)16(23,24)25/h2-7,26H,1H3.
What are the key properties of N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide?
N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 484.22 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).