N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide

C23H21ClN2O5S — CID 24544336

IUPACN-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C23H21ClN2O5S/c1-26(15-17-5-2-3-8-20(17)24)23(27)16-6-4-7-18(13-16)25-32(28,29)19-9-10-21-22(14-19)31-12-11-30-21/h2-10,13-14,25H,11-12,15H2,1H3
InChIKeyQNHSLDKHEGVFRF-UHFFFAOYSA-N
MW472.95 g/mol
LogP4.18
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide

N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide (PubChem CID 24544336) has the molecular formula C23H21ClN2O5S and a molecular weight of 472.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
PubChem CID24544336
Molecular FormulaC23H21ClN2O5S
Molecular Weight472.95 g/mol
Exact Mass472.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C23H21ClN2O5S/c1-26(15-17-5-2-3-8-20(17)24)23(27)16-6-4-7-18(13-16)25-32(28,29)19-9-10-21-22(14-19)31-12-11-30-21/h2-10,13-14,25H,11-12,15H2,1H3
InChIKeyQNHSLDKHEGVFRF-UHFFFAOYSA-N
XLogP4.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
CID 24548619
N-[3-chloro-4-(dimethylamino)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 55821414
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-prop-2-ynylbenzamide
CID 18110210
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31144744
N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
CID 26594107
2-[(2-chlorophenyl)methoxy]-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]acetamide
CID 55792296
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide
CID 24549461
N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpyrrolidine-2-carboxamide
CID 42988130
3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 24660209
N-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169373081
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2-pyridin-2-ylethyl)benzamide
CID 24540654

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide (CID 24544336) is N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide is CN(Cc1ccccc1Cl)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide?
The InChIKey is QNHSLDKHEGVFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O5S/c1-26(15-17-5-2-3-8-20(17)24)23(27)16-6-4-7-18(13-16)25-32(28,29)19-9-10-21-22(14-19)31-12-11-30-21/h2-10,13-14,25H,11-12,15H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide?
N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide has a molecular weight of 472.95 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide is sourced from PubChem (CID 24544336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).