N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate

C16H13ClN5O2S- — CID 22305422

IUPACN-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate
SMILESO=C([O-])N(CCSc1nnnn1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5O2S/c17-12-6-8-13(9-7-12)21(16(23)24)10-11-25-15-18-19-20-22(15)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,23,24)/p-1
InChIKeyFDLNNQGVOWQSTN-UHFFFAOYSA-M
MW374.83 g/mol
LogP2.26
Rot. Bonds6

About N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate

N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate (PubChem CID 22305422) has the molecular formula C16H13ClN5O2S- and a molecular weight of 374.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate
PubChem CID22305422
Molecular FormulaC16H13ClN5O2S-
Molecular Weight374.83 g/mol
Exact Mass374.05
IUPAC NameN-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate
SMILESO=C([O-])N(CCSc1nnnn1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5O2S/c17-12-6-8-13(9-7-12)21(16(23)24)10-11-25-15-18-19-20-22(15)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,23,24)/p-1
InChIKeyFDLNNQGVOWQSTN-UHFFFAOYSA-M
XLogP2.26
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 2610496
N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 18731478
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 4812098
1-(2-hydroxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 18731404
N-(5-chloro-2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 23775373
1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
CID 3550030
2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide
CID 4750116
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
ethyl 2-amino-4-(1-phenyltetrazol-5-yl)sulfanylbutanoate
CID 63035562
N-[(4-chlorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 17123296
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 2652636
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate?
The IUPAC name of N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate (CID 22305422) is N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate.
What is the SMILES notation for N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate?
The canonical SMILES for N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate is O=C([O-])N(CCSc1nnnn1-c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate?
The InChIKey is FDLNNQGVOWQSTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14ClN5O2S/c17-12-6-8-13(9-7-12)21(16(23)24)10-11-25-15-18-19-20-22(15)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,23,24)/p-1.
What are the key properties of N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate?
N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate has a molecular weight of 374.83 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate is sourced from PubChem (CID 22305422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).