N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide

C14H11ClN2O3S2 — CID 16934023

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C14H11ClN2O3S2/c1-20-9-5-7-10(8-6-9)22(18,19)17-14-16-13-11(15)3-2-4-12(13)21-14/h2-8H,1H3,(H,16,17)
InChIKeyZASNLRNFUNRGKJ-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.76
Rot. Bonds4

About N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide

N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 16934023) has the molecular formula C14H11ClN2O3S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
PubChem CID16934023
Molecular FormulaC14H11ClN2O3S2
Molecular Weight354.84 g/mol
Exact Mass353.99
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C14H11ClN2O3S2/c1-20-9-5-7-10(8-6-9)22(18,19)17-14-16-13-11(15)3-2-4-12(13)21-14/h2-8H,1H3,(H,16,17)
InChIKeyZASNLRNFUNRGKJ-UHFFFAOYSA-N
XLogP3.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3376104
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 43812672
4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934057
4,5-dibromo-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 25042715
N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 670284
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041455
2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 4806091
N-(4-chloro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 2037986
N-(4-bromo-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045467
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 58554483
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide (CID 16934023) is N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc3c(Cl)cccc3s2)cc1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is ZASNLRNFUNRGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S2/c1-20-9-5-7-10(8-6-9)22(18,19)17-14-16-13-11(15)3-2-4-12(13)21-14/h2-8H,1H3,(H,16,17).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 354.84 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 16934023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).