[4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate

C20H17N3O4S — CID 70688362

IUPAC[4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24)
InChIKeyWMSGIFCKNNYVEP-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.16
Rot. Bonds4

About [4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate

[4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate (PubChem CID 70688362) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is [4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate
PubChem CID70688362
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name[4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24)
InChIKeyWMSGIFCKNNYVEP-UHFFFAOYSA-N
XLogP3.16
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate
CID 70694601
[4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate
CID 70694605
9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
CID 45112398
[4-[[4-[4-[[4-(benzenesulfonyloxy)phenyl]carbamoylamino]phenyl]phenyl]carbamoylamino]phenyl] benzenesulfonate
CID 155661552
[4-[[4-(4-phenylphenyl)sulfonyloxyphenyl]carbamoylamino]phenyl] 4-phenylbenzenesulfonate
CID 142536781
[4-[[4-(benzenesulfonyloxy)phenyl]carbamoylamino]phenyl] 4-methoxybenzenesulfonate
CID 142536745
1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea
CID 122447737
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 5221280
[4-[(2-ethylsulfonyloxyphenyl)carbamoylamino]phenyl] ethanesulfonate
CID 142536703
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540

Frequently Asked Questions

What is the IUPAC name of [4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate?
The IUPAC name of [4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate (CID 70688362) is [4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate.
What is the SMILES notation for [4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate?
The canonical SMILES for [4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of [4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate?
The InChIKey is WMSGIFCKNNYVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24).
What are the key properties of [4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate?
[4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate has a molecular weight of 395.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate is sourced from PubChem (CID 70688362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).