N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide

C14H23N3O5S2 — CID 119972318

IUPACN-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCC(N)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H23N3O5S2/c1-12(15)6-7-16-23(18,19)13-2-4-14(5-3-13)24(20,21)17-8-10-22-11-9-17/h2-5,12,16H,6-11,15H2,1H3
InChIKeyPZBSCJCEGIADRB-UHFFFAOYSA-N
MW377.49 g/mol
LogP-0.28
Rot. Bonds7

About N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide

N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 119972318) has the molecular formula C14H23N3O5S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID119972318
Molecular FormulaC14H23N3O5S2
Molecular Weight377.49 g/mol
Exact Mass377.11
IUPAC NameN-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCC(N)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H23N3O5S2/c1-12(15)6-7-16-23(18,19)13-2-4-14(5-3-13)24(20,21)17-8-10-22-11-9-17/h2-5,12,16H,6-11,15H2,1H3
InChIKeyPZBSCJCEGIADRB-UHFFFAOYSA-N
XLogP-0.28
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119972317
N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119972328
N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 119973419
N-[3-(methylamino)propyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119964630
N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119973418
N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 18287855
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119496106
N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
CID 139492880
N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1168367
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195
N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119986541
4-(benzenesulfonyl)morpholine;ethane
CID 143200179

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 119972318) is N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide is CC(N)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is PZBSCJCEGIADRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S2/c1-12(15)6-7-16-23(18,19)13-2-4-14(5-3-13)24(20,21)17-8-10-22-11-9-17/h2-5,12,16H,6-11,15H2,1H3.
What are the key properties of N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 377.49 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 119972318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).