N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide

C15H19N5O3S — CID 47814417

IUPACN-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(-n2cnnn2)c1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C15H19N5O3S/c21-24(22,20(13-4-5-13)9-12-6-7-23-10-12)15-3-1-2-14(8-15)19-11-16-17-18-19/h1-3,8,11-13H,4-7,9-10H2
InChIKeyHSSLXXAUXQGEFT-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.85
Rot. Bonds6

About N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide

N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 47814417) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
PubChem CID47814417
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(-n2cnnn2)c1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C15H19N5O3S/c21-24(22,20(13-4-5-13)9-12-6-7-23-10-12)15-3-1-2-14(8-15)19-11-16-17-18-19/h1-3,8,11-13H,4-7,9-10H2
InChIKeyHSSLXXAUXQGEFT-UHFFFAOYSA-N
XLogP0.85
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 86854839
N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 86854844
3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61138357
N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697581
3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 86986018
N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697628
3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697634
5-[cyclopropyl(oxolan-3-ylmethyl)sulfamoyl]-2-methoxybenzamide
CID 47031527
5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide
CID 106467532
N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline
CID 43201828
3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61253542
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
CID 78872535

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide (CID 47814417) is N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide is O=S(=O)(c1cccc(-n2cnnn2)c1)N(CC1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is HSSLXXAUXQGEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c21-24(22,20(13-4-5-13)9-12-6-7-23-10-12)15-3-1-2-14(8-15)19-11-16-17-18-19/h1-3,8,11-13H,4-7,9-10H2.
What are the key properties of N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide?
N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 349.42 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 47814417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).