N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide

C20H16N2O2S2 — CID 8004145

IUPACN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccccc1
InChIInChI=1S/C20H16N2O2S2/c23-26(24,17-6-2-1-3-7-17)22-16-12-10-15(11-13-16)14-20-21-18-8-4-5-9-19(18)25-20/h1-13,22H,14H2
InChIKeyDDRAOVYDCJMWFL-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.69
Rot. Bonds5

About N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 8004145) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide
PubChem CID8004145
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccccc1
InChIInChI=1S/C20H16N2O2S2/c23-26(24,17-6-2-1-3-7-17)22-16-12-10-15(11-13-16)14-20-21-18-8-4-5-9-19(18)25-20/h1-13,22H,14H2
InChIKeyDDRAOVYDCJMWFL-UHFFFAOYSA-N
XLogP4.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-chlorobenzenesulfonamide
CID 7938840
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide
CID 26419057
1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-benzylthiourea
CID 8628473
N-[3,5-dichloro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phenyl]benzenesulfonamide
CID 150624367
4-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122074383
(2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-chloropropanamide
CID 7063625
N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]benzenesulfonamide
CID 6620635
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868570
N-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 54859155
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-(carbamoylamino)pentanamide
CID 36556620
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 42116254
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide (CID 8004145) is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is DDRAOVYDCJMWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c23-26(24,17-6-2-1-3-7-17)22-16-12-10-15(11-13-16)14-20-21-18-8-4-5-9-19(18)25-20/h1-13,22H,14H2.
What are the key properties of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide?
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 380.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8004145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).