N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide

C19H12Cl2N2O3S — CID 155559479

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H12Cl2N2O3S/c20-15-10-9-14(11-16(15)21)27(24,25)23-13-7-5-12(6-8-13)19-22-17-3-1-2-4-18(17)26-19/h1-11,23H
InChIKeyWJNJBGAMUIRGIV-UHFFFAOYSA-N
MW419.29 g/mol
LogP5.60
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide (PubChem CID 155559479) has the molecular formula C19H12Cl2N2O3S and a molecular weight of 419.29 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide
PubChem CID155559479
Molecular FormulaC19H12Cl2N2O3S
Molecular Weight419.29 g/mol
Exact Mass417.99
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H12Cl2N2O3S/c20-15-10-9-14(11-16(15)21)27(24,25)23-13-7-5-12(6-8-13)19-22-17-3-1-2-4-18(17)26-19/h1-11,23H
InChIKeyWJNJBGAMUIRGIV-UHFFFAOYSA-N
XLogP5.60
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.29
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]-2-chlorobenzoic acid
CID 58937205
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide
CID 155560132
N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 146733141
N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
CID 1362301
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
4-amino-N-[4-[5-[(4-aminophenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134146721
3-nitro-N-[4-[5-[(3-nitrophenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134141423
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 23101518
2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-5-sulfonic acid
CID 58810936
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanamide
CID 21169188
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84563223

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide (CID 155559479) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide is O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide?
The InChIKey is WJNJBGAMUIRGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O3S/c20-15-10-9-14(11-16(15)21)27(24,25)23-13-7-5-12(6-8-13)19-22-17-3-1-2-4-18(17)26-19/h1-11,23H.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide has a molecular weight of 419.29 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 155559479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).