2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

C22H25ClN6O4S — CID 3569813

IUPAC2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C1(NS(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C22H25ClN6O4S/c23-17-9-11-18(12-10-17)24-21(30)33-16-15-29-20(25-27-28-29)22(13-5-2-6-14-22)26-34(31,32)19-7-3-1-4-8-19/h1,3-4,7-12,26H,2,5-6,13-16H2,(H,24,30)
InChIKeyFJTLKVALQROWAO-UHFFFAOYSA-N
MW505.00 g/mol
LogP3.71
Rot. Bonds8

About 2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (PubChem CID 3569813) has the molecular formula C22H25ClN6O4S and a molecular weight of 505.00 g/mol. Its IUPAC name is 2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
PubChem CID3569813
Molecular FormulaC22H25ClN6O4S
Molecular Weight505.00 g/mol
Exact Mass504.13
IUPAC Name2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C1(NS(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C22H25ClN6O4S/c23-17-9-11-18(12-10-17)24-21(30)33-16-15-29-20(25-27-28-29)22(13-5-2-6-14-22)26-34(31,32)19-7-3-1-4-8-19/h1,3-4,7-12,26H,2,5-6,13-16H2,(H,24,30)
InChIKeyFJTLKVALQROWAO-UHFFFAOYSA-N
XLogP3.71
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.00
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
CID 3960724
(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate
CID 79337548
2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate
CID 2945826
[(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate
CID 15407982
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 4252683
2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine
CID 63080778
2-(benzenesulfonyl)ethyl N-phenylcarbamate
CID 14081594
1-(4-chlorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765608
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate
CID 2249987
2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine
CID 63080580

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (CID 3569813) is 2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C1(NS(=O)(=O)c2ccccc2)CCCCC1.
What is the InChIKey of 2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is FJTLKVALQROWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O4S/c23-17-9-11-18(12-10-17)24-21(30)33-16-15-29-20(25-27-28-29)22(13-5-2-6-14-22)26-34(31,32)19-7-3-1-4-8-19/h1,3-4,7-12,26H,2,5-6,13-16H2,(H,24,30).
What are the key properties of 2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 505.00 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 3569813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).