4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide

C11H14ClNO4S — CID 3797985

IUPAC4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1OCCO1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO4S/c1-13(8-11-16-6-7-17-11)18(14,15)10-4-2-9(12)3-5-10/h2-5,11H,6-8H2,1H3
InChIKeyOFZTYZBKHCXVCC-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.33
Rot. Bonds4

About 4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide

4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide (PubChem CID 3797985) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide
PubChem CID3797985
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1OCCO1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO4S/c1-13(8-11-16-6-7-17-11)18(14,15)10-4-2-9(12)3-5-10/h2-5,11H,6-8H2,1H3
InChIKeyOFZTYZBKHCXVCC-UHFFFAOYSA-N
XLogP1.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 51673993
4-bromo-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 87253100
4-bromo-N-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide
CID 87253101
4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid
CID 119238890
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
4-chloro-N-(3,3-dimethyl-2-oxobutyl)-N-methylbenzenesulfonamide
CID 171725644
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
4-chloro-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 18096934
4-chloro-N-methyl-N-phenacylbenzenesulfonamide
CID 58597544
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 91905238
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide (CID 3797985) is 4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide is CN(CC1OCCO1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is OFZTYZBKHCXVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-13(8-11-16-6-7-17-11)18(14,15)10-4-2-9(12)3-5-10/h2-5,11H,6-8H2,1H3.
What are the key properties of 4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide?
4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 291.76 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 3797985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).