3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid

C15H22N2O6S — CID 86720399

IUPAC3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid
SMILESCS(=O)(=O)NCc1cc(C(=O)O)ccc1OCCN1CCOCC1
InChIInChI=1S/C15H22N2O6S/c1-24(20,21)16-11-13-10-12(15(18)19)2-3-14(13)23-9-6-17-4-7-22-8-5-17/h2-3,10,16H,4-9,11H2,1H3,(H,18,19)
InChIKeyUDHBBKFUUYOELB-UHFFFAOYSA-N
MW358.42 g/mol
LogP0.14
Rot. Bonds8

About 3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid

3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid (PubChem CID 86720399) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid.

Molecular Properties

Compound Name3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid
PubChem CID86720399
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC Name3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid
SMILESCS(=O)(=O)NCc1cc(C(=O)O)ccc1OCCN1CCOCC1
InChIInChI=1S/C15H22N2O6S/c1-24(20,21)16-11-13-10-12(15(18)19)2-3-14(13)23-9-6-17-4-7-22-8-5-17/h2-3,10,16H,4-9,11H2,1H3,(H,18,19)
InChIKeyUDHBBKFUUYOELB-UHFFFAOYSA-N
XLogP0.14
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
N-methyl-1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 63323660
1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
CID 82064195
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 63325103
3-fluoro-4-(2-morpholin-4-ylethoxy)benzamide
CID 22318780
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
4-methoxy-3-(4-morpholin-4-ylbutylsulfonyl)benzoic acid
CID 159004403
N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883333
4-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2,2-dimethylbutanoic acid
CID 122127082
(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
CID 119865271
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid?
The IUPAC name of 3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid (CID 86720399) is 3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid.
What is the SMILES notation for 3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid?
The canonical SMILES for 3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid is CS(=O)(=O)NCc1cc(C(=O)O)ccc1OCCN1CCOCC1.
What is the InChIKey of 3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid?
The InChIKey is UDHBBKFUUYOELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-24(20,21)16-11-13-10-12(15(18)19)2-3-14(13)23-9-6-17-4-7-22-8-5-17/h2-3,10,16H,4-9,11H2,1H3,(H,18,19).
What are the key properties of 3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid?
3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid has a molecular weight of 358.42 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamidomethyl)-4-(2-morpholin-4-ylethoxy)benzoic acid is sourced from PubChem (CID 86720399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).