N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide

C20H28N2O5S2 — CID 10114176

IUPACN-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)Oc1ccc(-c2ccc(CNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H28N2O5S2/c1-15(2)29(25,26)22-13-16(3)27-20-11-9-19(10-12-20)18-7-5-17(6-8-18)14-21-28(4,23)24/h5-12,15-16,21-22H,13-14H2,1-4H3
InChIKeyNUYOORMKXDGOAM-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.50
Rot. Bonds10

About N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide

N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide (PubChem CID 10114176) has the molecular formula C20H28N2O5S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide
PubChem CID10114176
Molecular FormulaC20H28N2O5S2
Molecular Weight440.59 g/mol
Exact Mass440.14
IUPAC NameN-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)Oc1ccc(-c2ccc(CNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H28N2O5S2/c1-15(2)29(25,26)22-13-16(3)27-20-11-9-19(10-12-20)18-7-5-17(6-8-18)14-21-28(4,23)24/h5-12,15-16,21-22H,13-14H2,1-4H3
InChIKeyNUYOORMKXDGOAM-UHFFFAOYSA-N
XLogP2.50
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide
CID 123528234
N-[(2R)-2-[4-(4-isocyanophenyl)phenoxy]propyl]propane-2-sulfonamide
CID 59120935
N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide
CID 115753665
N-[(4-butoxyphenyl)methyl]methanesulfonamide
CID 22246920
N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide
CID 119990191
N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide
CID 47371751
N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
2-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54932029
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46595987
3-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 54904729
CID 70601747
CID 70601747

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide (CID 10114176) is N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)Oc1ccc(-c2ccc(CNS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide?
The InChIKey is NUYOORMKXDGOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5S2/c1-15(2)29(25,26)22-13-16(3)27-20-11-9-19(10-12-20)18-7-5-17(6-8-18)14-21-28(4,23)24/h5-12,15-16,21-22H,13-14H2,1-4H3.
What are the key properties of N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide?
N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide has a molecular weight of 440.59 g/mol, XLogP of 2.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(methanesulfonamidomethyl)phenyl]phenoxy]propyl]propane-2-sulfonamide is sourced from PubChem (CID 10114176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).