N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide

C18H17NO2S — CID 143420402

IUPACN-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccccc1)C1C=CC=CC1
InChIInChI=1S/C18H17NO2S/c20-22(21,18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-12,14-15,17H,13H2
InChIKeyBCCMJQQIPRCJGI-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.77
Rot. Bonds4

About N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide

N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide (PubChem CID 143420402) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide
PubChem CID143420402
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccccc1)C1C=CC=CC1
InChIInChI=1S/C18H17NO2S/c20-22(21,18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-12,14-15,17H,13H2
InChIKeyBCCMJQQIPRCJGI-UHFFFAOYSA-N
XLogP3.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281
4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide
CID 4628212
N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide
CID 27307815
5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
CID 143180347
1-N-cyclohexa-2,4-dien-1-yl-4-N,4-N-diphenyl-1-N-[4-[4-(N-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 143746563
di(cyclohexa-2,4-dien-1-yl)-ethyl-phenyl-λ4-sulfane
CID 163710255
N-cyclohexa-2,4-dien-1-yl-N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]aniline
CID 163485486
N-cyano-N-phenylbenzenesulfonamide
CID 21323003
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 113094753
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 91489416
[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 91209194
N-cyclobutyl-N-phenylthiophene-3-sulfonamide
CID 166248781

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide (CID 143420402) is N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(c1ccccc1)C1C=CC=CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide?
The InChIKey is BCCMJQQIPRCJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c20-22(21,18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-12,14-15,17H,13H2.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide?
N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 143420402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).