N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride

C18H20ClF2N3O3S — CID 119416519

IUPACN-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
SMILESCl.O=C(c1ccccc1NS(=O)(=O)c1cc(F)ccc1F)N1CCCNCC1
InChIInChI=1S/C18H19F2N3O3S.ClH/c19-13-6-7-15(20)17(12-13)27(25,26)22-16-5-2-1-4-14(16)18(24)23-10-3-8-21-9-11-23;/h1-2,4-7,12,21-22H,3,8-11H2;1H
InChIKeyHDGTZTUTJQEWHI-UHFFFAOYSA-N
MW431.89 g/mol
LogP2.62
Rot. Bonds4

About N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride

N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride (PubChem CID 119416519) has the molecular formula C18H20ClF2N3O3S and a molecular weight of 431.89 g/mol. Its IUPAC name is N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
PubChem CID119416519
Molecular FormulaC18H20ClF2N3O3S
Molecular Weight431.89 g/mol
Exact Mass431.09
IUPAC NameN-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
SMILESCl.O=C(c1ccccc1NS(=O)(=O)c1cc(F)ccc1F)N1CCCNCC1
InChIInChI=1S/C18H19F2N3O3S.ClH/c19-13-6-7-15(20)17(12-13)27(25,26)22-16-5-2-1-4-14(16)18(24)23-10-3-8-21-9-11-23;/h1-2,4-7,12,21-22H,3,8-11H2;1H
InChIKeyHDGTZTUTJQEWHI-UHFFFAOYSA-N
XLogP2.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.89
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride 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-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119379589
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
4-(1,4-diazepane-1-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide
CID 119418280
4-fluoro-N-[2-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55646336
3-(1,4-diazepane-1-carbonyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 119416470
3-(1,4-diazepane-1-carbonyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide;hydrochloride
CID 119414668
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone;hydrochloride
CID 119415115
4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663261
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 4173516
2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide
CID 43236177
(2-amino-5-fluorophenyl)-(1,4-diazepan-1-yl)methanone
CID 43535352
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 60534480

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride (CID 119416519) is N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride is Cl.O=C(c1ccccc1NS(=O)(=O)c1cc(F)ccc1F)N1CCCNCC1.
What is the InChIKey of N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride?
The InChIKey is HDGTZTUTJQEWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S.ClH/c19-13-6-7-15(20)17(12-13)27(25,26)22-16-5-2-1-4-14(16)18(24)23-10-3-8-21-9-11-23;/h1-2,4-7,12,21-22H,3,8-11H2;1H.
What are the key properties of N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride?
N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride has a molecular weight of 431.89 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119416519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).