N-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide

C23H43BrN2O2S — CID 23316749

IUPACN-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide
SMILESBr.CCCCCCC(CCCC)NC(C)CCCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C23H42N2O2S.BrH/c1-5-7-9-10-15-22(14-8-6-2)24-20(3)12-11-13-21-16-18-23(19-17-21)25-28(4,26)27;/h16-20,22,24-25H,5-15H2,1-4H3;1H
InChIKeySRZHMRAMJUNTAG-UHFFFAOYSA-N
MW491.58 g/mol
LogP6.47
Rot. Bonds16

About N-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide

N-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide (PubChem CID 23316749) has the molecular formula C23H43BrN2O2S and a molecular weight of 491.58 g/mol. Its IUPAC name is N-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide.

Molecular Properties

Compound NameN-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide
PubChem CID23316749
Molecular FormulaC23H43BrN2O2S
Molecular Weight491.58 g/mol
Exact Mass490.22
IUPAC NameN-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide
SMILESBr.CCCCCCC(CCCC)NC(C)CCCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C23H42N2O2S.BrH/c1-5-7-9-10-15-22(14-8-6-2)24-20(3)12-11-13-21-16-18-23(19-17-21)25-28(4,26)27;/h16-20,22,24-25H,5-15H2,1-4H3;1H
InChIKeySRZHMRAMJUNTAG-UHFFFAOYSA-N
XLogP6.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.58
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-[4-(nonan-3-ylamino)pentyl]phenyl]methanesulfonamide
CID 70466779
4-methylbenzenesulfonic acid;N-[4-[4-(nonan-3-ylamino)butyl]phenyl]methanesulfonamide
CID 88625405
N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide
CID 23316726
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
CID 15040315
N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide
CID 114246123
N-(4-phenylbutan-2-yl)octan-2-amine
CID 43130021
N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide
CID 24850159
3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide
CID 79585956
N-heptan-4-ylheptan-2-amine
CID 43572732
4-hexyl-N-[4-(2-methylpropoxy)phenyl]benzenesulfonamide
CID 84552359
N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide
CID 70411421

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide?
The IUPAC name of N-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide (CID 23316749) is N-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide.
What is the SMILES notation for N-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide?
The canonical SMILES for N-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide is Br.CCCCCCC(CCCC)NC(C)CCCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide?
The InChIKey is SRZHMRAMJUNTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O2S.BrH/c1-5-7-9-10-15-22(14-8-6-2)24-20(3)12-11-13-21-16-18-23(19-17-21)25-28(4,26)27;/h16-20,22,24-25H,5-15H2,1-4H3;1H.
What are the key properties of N-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide?
N-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide has a molecular weight of 491.58 g/mol, XLogP of 6.47, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(undecan-5-ylamino)pentyl]phenyl]methanesulfonamide;hydrobromide is sourced from PubChem (CID 23316749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).