N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide

C17H11ClN2O2S2 — CID 16934053

IUPACN-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccc3ccccc3c2s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClN2O2S2/c18-12-6-8-13(9-7-12)24(21,22)20-17-19-15-10-5-11-3-1-2-4-14(11)16(15)23-17/h1-10H,(H,19,20)
InChIKeyDVDOAAWXDQNXNM-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.90
Rot. Bonds3

About N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide

N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide (PubChem CID 16934053) has the molecular formula C17H11ClN2O2S2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide
PubChem CID16934053
Molecular FormulaC17H11ClN2O2S2
Molecular Weight374.87 g/mol
Exact Mass374.00
IUPAC NameN-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccc3ccccc3c2s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClN2O2S2/c18-12-6-8-13(9-7-12)24(21,22)20-17-19-15-10-5-11-3-1-2-4-14(11)16(15)23-17/h1-10H,(H,19,20)
InChIKeyDVDOAAWXDQNXNM-UHFFFAOYSA-N
XLogP4.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934058
N-(6-bromo-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 16934052
N-(6-amino-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 28528726
N-(5-bromo-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 129127454
N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043145
N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide
CID 7565732
N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide
CID 8603569
2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 10044144
4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934057
4-chloro-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 135647860
4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 136697043
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 749784

Frequently Asked Questions

What is the IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide?
The IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide (CID 16934053) is N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide?
The canonical SMILES for N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide is O=S(=O)(Nc1nc2ccc3ccccc3c2s1)c1ccc(Cl)cc1.
What is the InChIKey of N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide?
The InChIKey is DVDOAAWXDQNXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2S2/c18-12-6-8-13(9-7-12)24(21,22)20-17-19-15-10-5-11-3-1-2-4-14(11)16(15)23-17/h1-10H,(H,19,20).
What are the key properties of N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide?
N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide has a molecular weight of 374.87 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide is sourced from PubChem (CID 16934053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).