N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide

C18H30N2O5S2 — CID 18287855

IUPACN-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H30N2O5S2/c1-15(2)5-4-6-16(3)19-26(21,22)17-7-9-18(10-8-17)27(23,24)20-11-13-25-14-12-20/h7-10,15-16,19H,4-6,11-14H2,1-3H3
InChIKeyQLTDASCMPHGLCQ-UHFFFAOYSA-N
MW418.58 g/mol
LogP2.20
Rot. Bonds9

About N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide

N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 18287855) has the molecular formula C18H30N2O5S2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID18287855
Molecular FormulaC18H30N2O5S2
Molecular Weight418.58 g/mol
Exact Mass418.16
IUPAC NameN-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H30N2O5S2/c1-15(2)5-4-6-16(3)19-26(21,22)17-7-9-18(10-8-17)27(23,24)20-11-13-25-14-12-20/h7-10,15-16,19H,4-6,11-14H2,1-3H3
InChIKeyQLTDASCMPHGLCQ-UHFFFAOYSA-N
XLogP2.20
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470475
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 119972318
N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119972317
N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1168367
N-[3-(methylamino)propyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119964630
4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470913
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119986541
N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 7927777
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
N-[(2S)-6-methylheptan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 29431829

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 18287855) is N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide is CC(C)CCCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is QLTDASCMPHGLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5S2/c1-15(2)5-4-6-16(3)19-26(21,22)17-7-9-18(10-8-17)27(23,24)20-11-13-25-14-12-20/h7-10,15-16,19H,4-6,11-14H2,1-3H3.
What are the key properties of N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 418.58 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 18287855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).