[7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate

C21H12Cl2F2N4O4S — CID 175402432

IUPAC[7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate
SMILESNC(=O)Oc1ncc2ccc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c3F)cc2n1
InChIInChI=1S/C21H12Cl2F2N4O4S/c22-12-3-4-13(23)17(8-12)34(31,32)29-15-6-5-14(24)18(19(15)25)10-1-2-11-9-27-21(33-20(26)30)28-16(11)7-10/h1-9,29H,(H2,26,30)
InChIKeyRAHFWBYFYYTITC-UHFFFAOYSA-N
MW525.32 g/mol
LogP5.14
Rot. Bonds5

About [7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate

[7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate (PubChem CID 175402432) has the molecular formula C21H12Cl2F2N4O4S and a molecular weight of 525.32 g/mol. Its IUPAC name is [7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate.

Molecular Properties

Compound Name[7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate
PubChem CID175402432
Molecular FormulaC21H12Cl2F2N4O4S
Molecular Weight525.32 g/mol
Exact Mass523.99
IUPAC Name[7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate
SMILESNC(=O)Oc1ncc2ccc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c3F)cc2n1
InChIInChI=1S/C21H12Cl2F2N4O4S/c22-12-3-4-13(23)17(8-12)34(31,32)29-15-6-5-14(24)18(19(15)25)10-1-2-11-9-27-21(33-20(26)30)28-16(11)7-10/h1-9,29H,(H2,26,30)
InChIKeyRAHFWBYFYYTITC-UHFFFAOYSA-N
XLogP5.14
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.32
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833222
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide
CID 156833076
N-[3-(2-aminoquinazolin-5-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833405
3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 175850288
N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156833144
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide
CID 156833311
N-[3-(2-aminoquinazolin-6-yl)-2,6-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833143
2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide
CID 166048165
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2-methoxypyridine-3-sulfonamide
CID 176863733
N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156833152
N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 156833302
5-chloro-N-[2,4-difluoro-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 156832891

Frequently Asked Questions

What is the IUPAC name of [7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate?
The IUPAC name of [7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate (CID 175402432) is [7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate.
What is the SMILES notation for [7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate?
The canonical SMILES for [7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate is NC(=O)Oc1ncc2ccc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c3F)cc2n1.
What is the InChIKey of [7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate?
The InChIKey is RAHFWBYFYYTITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2F2N4O4S/c22-12-3-4-13(23)17(8-12)34(31,32)29-15-6-5-14(24)18(19(15)25)10-1-2-11-9-27-21(33-20(26)30)28-16(11)7-10/h1-9,29H,(H2,26,30).
What are the key properties of [7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate?
[7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate has a molecular weight of 525.32 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate is sourced from PubChem (CID 175402432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).