N-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide

C24H23F2N3O4S2 — CID 118497693

IUPACN-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccccc2)cc1NS(=O)(=O)C1(F)C=CC=CC1)C1(F)C=CC=CC1
InChIInChI=1S/C24H23F2N3O4S2/c25-23(14-6-2-7-15-23)34(30,31)28-21-13-12-20(27-19-10-4-1-5-11-19)18-22(21)29-35(32,33)24(26)16-8-3-9-17-24/h1-14,16,18,27-29H,15,17H2
InChIKeyNRIRHFLRAKPNEA-UHFFFAOYSA-N
MW519.60 g/mol
LogP5.28
Rot. Bonds8

About N-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide

N-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide (PubChem CID 118497693) has the molecular formula C24H23F2N3O4S2 and a molecular weight of 519.60 g/mol. Its IUPAC name is N-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound NameN-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide
PubChem CID118497693
Molecular FormulaC24H23F2N3O4S2
Molecular Weight519.60 g/mol
Exact Mass519.11
IUPAC NameN-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccccc2)cc1NS(=O)(=O)C1(F)C=CC=CC1)C1(F)C=CC=CC1
InChIInChI=1S/C24H23F2N3O4S2/c25-23(14-6-2-7-15-23)34(30,31)28-21-13-12-20(27-19-10-4-1-5-11-19)18-22(21)29-35(32,33)24(26)16-8-3-9-17-24/h1-14,16,18,27-29H,15,17H2
InChIKeyNRIRHFLRAKPNEA-UHFFFAOYSA-N
XLogP5.28
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.60
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-aminocyclohexa-2,4-dien-1-yl)-4-(4-anilinophenyl)-N-phenylaniline
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CID 174856272
5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene
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N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
N-phenylaniline;sulfuric acid
CID 11486
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2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine
CID 12035327
2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 11251278
CID 50987199
CID 50987199
azane;N-phenylaniline
CID 67074378
N-[4-anilino-3-(methanesulfonamido)phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 57088176

Frequently Asked Questions

What is the IUPAC name of N-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of N-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide (CID 118497693) is N-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for N-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for N-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide is O=S(=O)(Nc1ccc(Nc2ccccc2)cc1NS(=O)(=O)C1(F)C=CC=CC1)C1(F)C=CC=CC1.
What is the InChIKey of N-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is NRIRHFLRAKPNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O4S2/c25-23(14-6-2-7-15-23)34(30,31)28-21-13-12-20(27-19-10-4-1-5-11-19)18-22(21)29-35(32,33)24(26)16-8-3-9-17-24/h1-14,16,18,27-29H,15,17H2.
What are the key properties of N-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide?
N-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 519.60 g/mol, XLogP of 5.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-anilino-2-[(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylamino]phenyl]-1-fluorocyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 118497693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).