4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride

C19H19ClN2O3S2 — CID 45265147

IUPAC4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cc(C(=O)c2ccc(CNCc3ccccc3)cc2)cs1
InChIInChI=1S/C19H18N2O3S2.ClH/c20-26(23,24)18-10-17(13-25-18)19(22)16-8-6-15(7-9-16)12-21-11-14-4-2-1-3-5-14;/h1-10,13,21H,11-12H2,(H2,20,23,24);1H
InChIKeyASKLYVWFGMIFHI-UHFFFAOYSA-N
MW422.96 g/mol
LogP3.34
Rot. Bonds7

About 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride

4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 45265147) has the molecular formula C19H19ClN2O3S2 and a molecular weight of 422.96 g/mol. Its IUPAC name is 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID45265147
Molecular FormulaC19H19ClN2O3S2
Molecular Weight422.96 g/mol
Exact Mass422.05
IUPAC Name4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cc(C(=O)c2ccc(CNCc3ccccc3)cc2)cs1
InChIInChI=1S/C19H18N2O3S2.ClH/c20-26(23,24)18-10-17(13-25-18)19(22)16-8-6-15(7-9-16)12-21-11-14-4-2-1-3-5-14;/h1-10,13,21H,11-12H2,(H2,20,23,24);1H
InChIKeyASKLYVWFGMIFHI-UHFFFAOYSA-N
XLogP3.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-Butoxycarbonyl-3-[4-(N-benzylcarbamoyl)phenyl]-5-isobutylthiophene-2-sulfonamide
CID 25141239
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CID 5322912
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322919
4-({benzyl[(4-chlorophenyl)sulfonyl]amino}methyl)-N-(2-thienylmethyl)benzamide
CID 46891078
4-[5-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]thiophen-2-yl]benzamide
CID 89665057
4-[5-[[benzylsulfonyl(2-methylpropyl)amino]methyl]thiophen-2-yl]-N,N-dimethylbenzamide
CID 89665061
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide
CID 647357
N-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1247036
4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2675231
4-(dimethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 2675259
N-({5-[(cyclohexylamino)sulfonyl]-2-thienyl}methyl)benzamide
CID 2823724

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride (CID 45265147) is 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride is Cl.NS(=O)(=O)c1cc(C(=O)c2ccc(CNCc3ccccc3)cc2)cs1.
What is the InChIKey of 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is ASKLYVWFGMIFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2.ClH/c20-26(23,24)18-10-17(13-25-18)19(22)16-8-6-15(7-9-16)12-21-11-14-4-2-1-3-5-14;/h1-10,13,21H,11-12H2,(H2,20,23,24);1H.
What are the key properties of 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride?
4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 422.96 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 45265147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).