N-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide

C16H11Cl2FN2O4S3 — CID 67970767

IUPACN-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C16H11Cl2FN2O4S3/c17-12-8-14(20-27(22,23)11-5-3-10(19)4-6-11)15(9-13(12)18)21-28(24,25)16-2-1-7-26-16/h1-9,20-21H
InChIKeyYXBUMTQXAXKLSM-UHFFFAOYSA-N
MW481.38 g/mol
LogP4.80
Rot. Bonds6

About N-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide

N-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (PubChem CID 67970767) has the molecular formula C16H11Cl2FN2O4S3 and a molecular weight of 481.38 g/mol. Its IUPAC name is N-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
PubChem CID67970767
Molecular FormulaC16H11Cl2FN2O4S3
Molecular Weight481.38 g/mol
Exact Mass479.92
IUPAC NameN-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C16H11Cl2FN2O4S3/c17-12-8-14(20-27(22,23)11-5-3-10(19)4-6-11)15(9-13(12)18)21-28(24,25)16-2-1-7-26-16/h1-9,20-21H
InChIKeyYXBUMTQXAXKLSM-UHFFFAOYSA-N
XLogP4.80
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.38
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dichloro-2-{[(3-chloro-2-fluorophenyl)sulfonyl]amino}phenyl)thiophene-2-sulfonamide
CID 67969840
N-[4,5-dichloro-2-({[3-(trifluoromethyl)phenyl]sulfonyl}amino)phenyl]thiophene-2-sulfonamide
CID 67969908
N-(4,5-dichloro-2-{[(2,4-difluorophenyl)sulfonyl]amino}phenyl)thiophene-2-sulfonamide
CID 67970214
N-(4,5-dichloro-2-{[(4-chloro-2-fluorophenyl)sulfonyl]amino}phenyl)thiophene-2-sulfonamide
CID 67970414
N-(4,5-dichloro-2-{[(2-fluorophenyl)sulfonyl]amino}phenyl)thiophene-2-sulfonamide
CID 67970417
N-[4,5-dichloro-2-({[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl}amino)phenyl]thiophene-2-sulfonamide
CID 88536510
N-{4-[(2-chlorophenyl)sulfamoyl]phenyl}thiophene-2-sulfonamide
CID 1076381
1-(3,4-Dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
CID 2322197
N-(4,5-dichloro-2-{[(3,4-dichlorophenyl)sulfonyl]amino}phenyl)thiophene-2-sulfonamide
CID 67970215
N-{4,5-dichloro-2-[(2-thienylsulfonyl)amino]phenyl}-1-benzothiophene-2-sulfonamide
CID 67970464
N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 769036
5-chloro-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 1091573

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (CID 67970767) is N-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccs1)c1ccc(F)cc1.
What is the InChIKey of N-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The InChIKey is YXBUMTQXAXKLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O4S3/c17-12-8-14(20-27(22,23)11-5-3-10(19)4-6-11)15(9-13(12)18)21-28(24,25)16-2-1-7-26-16/h1-9,20-21H.
What are the key properties of N-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
N-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide has a molecular weight of 481.38 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dichloro-2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67970767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).