N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide

C16H18N2O2S — CID 10286330

IUPACN-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c19-21(20,16-4-2-1-3-5-16)18-15-7-6-13-8-10-17-11-9-14(13)12-15/h1-7,12,17-18H,8-11H2
InChIKeyRGAFJFZSGZDVCJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.18
Rot. Bonds3

About N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide

N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide (PubChem CID 10286330) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
PubChem CID10286330
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c19-21(20,16-4-2-1-3-5-16)18-15-7-6-13-8-10-17-11-9-14(13)12-15/h1-7,12,17-18H,8-11H2
InChIKeyRGAFJFZSGZDVCJ-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-(3-aminopropyl)phenyl)benzenesulfonamide
CID 11849197
N-[4-(2-aminoethyl)phenyl]Benzenesulfonamide
CID 15281645
N-(3-(2-aminoethyl)phenyl)benzenesulfonamide
CID 11849194
N-(3-(aminomethyl)phenyl)benzenesulfonamide
CID 11849791
4-(2-{[4-(Dimethylamino)benzyl]amino}ethyl)benzenesulfonamide hydrochloride
CID 4723880
4-butyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 9863611
4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741
4-Butyl-N-(2,3-dihydro-1H-isoindol-5-yl)benzene-1-sulfonamide
CID 44425698
4-Butyl-N-(2-methyl-2,3-dihydro-1H-isoindol-5-yl)benzene-1-sulfonamide
CID 44425699
4-butyl-N-(3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)benzenesulfonamide
CID 44425701
1-(Benzenesulfonyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
CID 44579183
4-[[4-(Dimethylamino)phenyl]methylamino]benzenesulfonamide
CID 2755712

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide?
The IUPAC name of N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide (CID 10286330) is N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide?
The canonical SMILES for N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccccc1.
What is the InChIKey of N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide?
The InChIKey is RGAFJFZSGZDVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-21(20,16-4-2-1-3-5-16)18-15-7-6-13-8-10-17-11-9-14(13)12-15/h1-7,12,17-18H,8-11H2.
What are the key properties of N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide?
N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide is sourced from PubChem (CID 10286330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).