N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide

C17H13Cl3N2O5S3 — CID 67970163

IUPACN-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C17H13Cl3N2O5S3/c1-27-16-5-4-10(7-13(16)20)29(23,24)21-14-8-11(18)12(19)9-15(14)22-30(25,26)17-3-2-6-28-17/h2-9,21-22H,1H3
InChIKeyCZZQSEXVLQIMDC-UHFFFAOYSA-N
MW527.86 g/mol
LogP5.32
Rot. Bonds7

About N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide

N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (PubChem CID 67970163) has the molecular formula C17H13Cl3N2O5S3 and a molecular weight of 527.86 g/mol. Its IUPAC name is N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
PubChem CID67970163
Molecular FormulaC17H13Cl3N2O5S3
Molecular Weight527.86 g/mol
Exact Mass525.91
IUPAC NameN-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C17H13Cl3N2O5S3/c1-27-16-5-4-10(7-13(16)20)29(23,24)21-14-8-11(18)12(19)9-15(14)22-30(25,26)17-3-2-6-28-17/h2-9,21-22H,1H3
InChIKeyCZZQSEXVLQIMDC-UHFFFAOYSA-N
XLogP5.32
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.86
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
N-[4,5-dichloro-2-[[6-(methylamino)naphthalen-2-yl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 118101182
N-[4,5-dichloro-2-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57382707
N-[4,5-dichloro-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970196
4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
CID 16771255
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
N-[4,5-dichloro-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970274
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
N-[4,5-dichloro-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970465
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (CID 67970163) is N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The InChIKey is CZZQSEXVLQIMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O5S3/c1-27-16-5-4-10(7-13(16)20)29(23,24)21-14-8-11(18)12(19)9-15(14)22-30(25,26)17-3-2-6-28-17/h2-9,21-22H,1H3.
What are the key properties of N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide has a molecular weight of 527.86 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67970163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).