N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide

C10H12N2O2S2 — CID 60640584

IUPACN-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C10H12N2O2S2/c1-2-7-16(13,14)12-10-11-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyKQTKRFCOUMCFCH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.45
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide

N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide (PubChem CID 60640584) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
PubChem CID60640584
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC NameN-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C10H12N2O2S2/c1-2-7-16(13,14)12-10-11-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyKQTKRFCOUMCFCH-UHFFFAOYSA-N
XLogP2.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 1228177
2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 24710948
2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid
CID 28774217
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 110757005
N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640590
N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 17257540
2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 60846825
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
1-[2-[(1,3-benzothiazol-2-ylamino)methyl]phenyl]-N-methylmethanesulfonamide
CID 47015531
N-butan-2-yl-1,3-benzothiazol-2-amine
CID 591708
N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683407
N-(1,3-benzothiazol-2-yl)-5-bromo-2-methylbenzenesulfonamide
CID 60661212

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide (CID 60640584) is N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide?
The InChIKey is KQTKRFCOUMCFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-2-7-16(13,14)12-10-11-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3,(H,11,12).
What are the key properties of N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide?
N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide has a molecular weight of 256.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 60640584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).